1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine

C15H31N3 — CID 116651527

IUPAC1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine
SMILESCC(C)N1CCCC(N(C)C(CN)C2CC2)CC1
InChIInChI=1S/C15H31N3/c1-12(2)18-9-4-5-14(8-10-18)17(3)15(11-16)13-6-7-13/h12-15H,4-11,16H2,1-3H3
InChIKeyLLMSTYRZRDOAIQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine (PubChem CID 116651527) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine
PubChem CID116651527
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine
SMILESCC(C)N1CCCC(N(C)C(CN)C2CC2)CC1
InChIInChI=1S/C15H31N3/c1-12(2)18-9-4-5-14(8-10-18)17(3)15(11-16)13-6-7-13/h12-15H,4-11,16H2,1-3H3
InChIKeyLLMSTYRZRDOAIQ-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine (CID 116651527) is 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine is CC(C)N1CCCC(N(C)C(CN)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine?
The InChIKey is LLMSTYRZRDOAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12(2)18-9-4-5-14(8-10-18)17(3)15(11-16)13-6-7-13/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(1-propan-2-ylazepan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 116651527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).