N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine

C17H35N3O — CID 86802376

IUPACN-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine
SMILESCC(CN1CCCCCC1)NC(C)C(C)N1CCOCC1
InChIInChI=1S/C17H35N3O/c1-15(14-19-8-6-4-5-7-9-19)18-16(2)17(3)20-10-12-21-13-11-20/h15-18H,4-14H2,1-3H3
InChIKeyCKSLKMSKNJDGKN-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.95
Rot. Bonds6

About N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine

N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine (PubChem CID 86802376) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine
PubChem CID86802376
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine
SMILESCC(CN1CCCCCC1)NC(C)C(C)N1CCOCC1
InChIInChI=1S/C17H35N3O/c1-15(14-19-8-6-4-5-7-9-19)18-16(2)17(3)20-10-12-21-13-11-20/h15-18H,4-14H2,1-3H3
InChIKeyCKSLKMSKNJDGKN-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine (CID 86802376) is N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine is CC(CN1CCCCCC1)NC(C)C(C)N1CCOCC1.
What is the InChIKey of N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine?
The InChIKey is CKSLKMSKNJDGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-15(14-19-8-6-4-5-7-9-19)18-16(2)17(3)20-10-12-21-13-11-20/h15-18H,4-14H2,1-3H3.
What are the key properties of N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine?
N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine has a molecular weight of 297.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)propan-2-yl]-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 86802376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).