N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine

C13H29N3 — CID 62573209

IUPACN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCN1CCCN(C)CC1
InChIInChI=1S/C13H29N3/c1-4-13(5-2)14-7-10-16-9-6-8-15(3)11-12-16/h13-14H,4-12H2,1-3H3
InChIKeyVNQLLORZCNUXPS-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine

N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine (PubChem CID 62573209) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
PubChem CID62573209
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCN1CCCN(C)CC1
InChIInChI=1S/C13H29N3/c1-4-13(5-2)14-7-10-16-9-6-8-15(3)11-12-16/h13-14H,4-12H2,1-3H3
InChIKeyVNQLLORZCNUXPS-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine
CID 62038004
N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]pentan-3-amine
CID 114083776
1-chloro-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913663
N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
[1-[2-(pentan-3-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718462
(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butan-1-ol
CID 82889379
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]pentan-3-amine
CID 115562338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine (CID 62573209) is N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine is CCC(CC)NCCN1CCCN(C)CC1.
What is the InChIKey of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine?
The InChIKey is VNQLLORZCNUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-13(5-2)14-7-10-16-9-6-8-15(3)11-12-16/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine?
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 62573209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).