N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide

C9H18N4O2 — CID 104887680

IUPACN-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide
SMILESNN/C(=N\C1CC1)N1CCOC(CO)C1
InChIInChI=1S/C9H18N4O2/c10-12-9(11-7-1-2-7)13-3-4-15-8(5-13)6-14/h7-8,14H,1-6,10H2,(H,11,12)
InChIKeyYHULMSNFKIQHOR-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.34
Rot. Bonds2

About N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide

N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide (PubChem CID 104887680) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide
PubChem CID104887680
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide
SMILESNN/C(=N\C1CC1)N1CCOC(CO)C1
InChIInChI=1S/C9H18N4O2/c10-12-9(11-7-1-2-7)13-3-4-15-8(5-13)6-14/h7-8,14H,1-6,10H2,(H,11,12)
InChIKeyYHULMSNFKIQHOR-UHFFFAOYSA-N
XLogP-1.34
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide
CID 81213177
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
N-amino-2-ethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883908
N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide
CID 116513553
N-(2-aminoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoacetamide
CID 81206421
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
(E)-4-[2-(hydroxymethyl)morpholin-4-yl]-4-oxobut-2-enoic acid
CID 81203259
prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81209419
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282
5-amino-1-[2-(hydroxymethyl)morpholin-4-yl]pentan-1-one
CID 81202936
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide (CID 104887680) is N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide is NN/C(=N\C1CC1)N1CCOC(CO)C1.
What is the InChIKey of N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide?
The InChIKey is YHULMSNFKIQHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c10-12-9(11-7-1-2-7)13-3-4-15-8(5-13)6-14/h7-8,14H,1-6,10H2,(H,11,12).
What are the key properties of N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide?
N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide has a molecular weight of 214.27 g/mol, XLogP of -1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 104887680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).