4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine

C14H31N3 — CID 65078106

IUPAC4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
SMILESCCN(CC)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-17(6-2)14(12-15)8-7-10-16(11-9-14)13(3)4/h13H,5-12,15H2,1-4H3
InChIKeyQXJPSEHNNCHUDR-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.92
Rot. Bonds5

About 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine

4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine (PubChem CID 65078106) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
PubChem CID65078106
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
SMILESCCN(CC)C1(CN)CCCN(C(C)C)CC1
InChIInChI=1S/C14H31N3/c1-5-17(6-2)14(12-15)8-7-10-16(11-9-14)13(3)4/h13H,5-12,15H2,1-4H3
InChIKeyQXJPSEHNNCHUDR-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine (CID 65078106) is 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine is CCN(CC)C1(CN)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine?
The InChIKey is QXJPSEHNNCHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-17(6-2)14(12-15)8-7-10-16(11-9-14)13(3)4/h13H,5-12,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine?
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine has a molecular weight of 241.42 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 4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65078106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).