N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine

C17H34N2 — CID 79409298

IUPACN-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
SMILESCC(C)C1CCCN(C(C)C(C)CNC2CC2)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16-6-5-10-19(11-9-16)15(4)14(3)12-18-17-7-8-17/h13-18H,5-12H2,1-4H3
InChIKeyIDLXZSWKQWFMIE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds6

About N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine

N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine (PubChem CID 79409298) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
PubChem CID79409298
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
SMILESCC(C)C1CCCN(C(C)C(C)CNC2CC2)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16-6-5-10-19(11-9-16)15(4)14(3)12-18-17-7-8-17/h13-18H,5-12H2,1-4H3
InChIKeyIDLXZSWKQWFMIE-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine (CID 79409298) is N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine is CC(C)C1CCCN(C(C)C(C)CNC2CC2)CC1.
What is the InChIKey of N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine?
The InChIKey is IDLXZSWKQWFMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)16-6-5-10-19(11-9-16)15(4)14(3)12-18-17-7-8-17/h13-18H,5-12H2,1-4H3.
What are the key properties of N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine?
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 79409298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).