4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol

C14H30N2O — CID 113376079

IUPAC4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)NC1CCCN(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(2)16-8-5-6-14(7-9-16)15-12(3)10-13(4)17/h11-15,17H,5-10H2,1-4H3
InChIKeyRAMZGLDAQWARPS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.00
Rot. Bonds5

About 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol

4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol (PubChem CID 113376079) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
PubChem CID113376079
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)NC1CCCN(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(2)16-8-5-6-14(7-9-16)15-12(3)10-13(4)17/h11-15,17H,5-10H2,1-4H3
InChIKeyRAMZGLDAQWARPS-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol with MolForge

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Related Compounds

N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65072876
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
CID 65077029
3-[(1-propan-2-ylpiperidin-4-yl)amino]butanamide
CID 115572761
(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
CID 65072495

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol?
The IUPAC name of 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol (CID 113376079) is 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol is CC(O)CC(C)NC1CCCN(C(C)C)CC1.
What is the InChIKey of 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol?
The InChIKey is RAMZGLDAQWARPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)16-8-5-6-14(7-9-16)15-12(3)10-13(4)17/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol?
4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 113376079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).