3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol

C15H30N2O — CID 114357358

IUPAC3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol
SMILESCCCC1CCCN(C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-4-12-5-3-9-17(10-8-12)14(11-18)15(16)13-6-7-13/h12-15,18H,2-11,16H2,1H3
InChIKeyCPEBOEQSAUBGFV-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.99
Rot. Bonds6

About 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol

3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol (PubChem CID 114357358) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol
PubChem CID114357358
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol
SMILESCCCC1CCCN(C(CO)C(N)C2CC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-4-12-5-3-9-17(10-8-12)14(11-18)15(16)13-6-7-13/h12-15,18H,2-11,16H2,1H3
InChIKeyCPEBOEQSAUBGFV-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 114356519
3-amino-2-(4-tert-butylpiperazin-1-yl)-3-cyclopropylpropan-1-ol
CID 114356855
3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 104840511
3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103495144
3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
CID 114357613
3-amino-2-[3-(methoxymethyl)piperidin-1-yl]hexan-1-ol
CID 106586650
2-methyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 107896549
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
[1-(3-aminobutan-2-yl)azepan-4-yl]methanol
CID 130671113
3-(1-propan-2-ylazepan-4-yl)propan-1-ol
CID 146561520
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol (CID 114357358) is 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol is CCCC1CCCN(C(CO)C(N)C2CC2)CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol?
The InChIKey is CPEBOEQSAUBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-4-12-5-3-9-17(10-8-12)14(11-18)15(16)13-6-7-13/h12-15,18H,2-11,16H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol?
3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol is sourced from PubChem (CID 114357358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).