N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide

C10H21N5 — CID 81199645

IUPACN'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(C(N)=NN)CCC21
InChIInChI=1S/C10H21N5/c1-14-5-2-3-8-7-15(10(11)13-12)6-4-9(8)14/h8-9H,2-7,12H2,1H3,(H2,11,13)
InChIKeyRJQKGBPCNMFZPQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.41
Rot. Bonds

About N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide

N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81199645) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81199645
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC NameN'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(C(N)=NN)CCC21
InChIInChI=1S/C10H21N5/c1-14-5-2-3-8-7-15(10(11)13-12)6-4-9(8)14/h8-9H,2-7,12H2,1H3,(H2,11,13)
InChIKeyRJQKGBPCNMFZPQ-UHFFFAOYSA-N
XLogP-0.41
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N'-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 81199983
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
N'-hydroxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-oxopropanimidamide
CID 81200219
2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one
CID 81199953
N'-hydroxy-2,2-dimethyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-oxopropanimidamide
CID 81200424
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
CID 120873110
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 116656880
3-amino-2,2,3-trimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-one
CID 81199173
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)cyclopentane-1-carbothioamide
CID 81199759
methyl N-cyano-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidothioate
CID 81198734
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-one
CID 81199957
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butane-1,3-dione
CID 81200263

Frequently Asked Questions

What is the IUPAC name of N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81199645) is N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is CN1CCCC2CN(C(N)=NN)CCC21.
What is the InChIKey of N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is RJQKGBPCNMFZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-14-5-2-3-8-7-15(10(11)13-12)6-4-9(8)14/h8-9H,2-7,12H2,1H3,(H2,11,13).
What are the key properties of N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81199645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).