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

C15H28N4 — CID 81199036

IUPACN'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C3CCCC3)CCC21
InChIInChI=1S/C15H28N4/c1-18-9-4-5-12-11-19(10-8-14(12)18)15(16)17-13-6-2-3-7-13/h12-14H,2-11H2,1H3,(H2,16,17)
InChIKeyDNHPCTNQBOHDTN-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.66
Rot. Bonds1

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

N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (PubChem CID 81199036) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
PubChem CID81199036
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
SMILESCN1CCCC2CN(/C(N)=N/C3CCCC3)CCC21
InChIInChI=1S/C15H28N4/c1-18-9-4-5-12-11-19(10-8-14(12)18)15(16)17-13-6-2-3-7-13/h12-14H,2-11H2,1H3,(H2,16,17)
InChIKeyDNHPCTNQBOHDTN-UHFFFAOYSA-N
XLogP1.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The IUPAC name of N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide (CID 81199036) is N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The canonical SMILES for N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is CN1CCCC2CN(/C(N)=N/C3CCCC3)CCC21.
What is the InChIKey of N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
The InChIKey is DNHPCTNQBOHDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-18-9-4-5-12-11-19(10-8-14(12)18)15(16)17-13-6-2-3-7-13/h12-14H,2-11H2,1H3,(H2,16,17).
What are the key properties of N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide?
N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide has a molecular weight of 264.42 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide is sourced from PubChem (CID 81199036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).