2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide

C13H26N2O2 — CID 113313239

IUPAC2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)15-12(17)10(3)14-8-13(9-16)6-7-13/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyZTSCNSOSEXKGDH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds8

About 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide (PubChem CID 113313239) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
PubChem CID113313239
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCC1(CO)CC1
InChIInChI=1S/C13H26N2O2/c1-4-11(5-2)15-12(17)10(3)14-8-13(9-16)6-7-13/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyZTSCNSOSEXKGDH-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 65111296
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-2-ylpropanamide
CID 115359436
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689
N-butan-2-yl-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]propanamide
CID 114112877
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentylpropanamide
CID 115359404
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 114112889
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methylpropyl)propanamide
CID 113293813
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide
CID 115454582
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-pentan-3-ylpropanamide
CID 62552678
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide (CID 113313239) is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCC1(CO)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide?
The InChIKey is ZTSCNSOSEXKGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(5-2)15-12(17)10(3)14-8-13(9-16)6-7-13/h10-11,14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide?
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 113313239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).