N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine

C13H29N3 — CID 70961776

IUPACN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
SMILESCCC(CCN(C)C)N1CCCN(C)CC1
InChIInChI=1S/C13H29N3/c1-5-13(7-10-14(2)3)16-9-6-8-15(4)11-12-16/h13H,5-12H2,1-4H3
InChIKeyLUIQWWYAYZJJKE-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.35
Rot. Bonds5

About N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine

N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine (PubChem CID 70961776) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
PubChem CID70961776
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
SMILESCCC(CCN(C)C)N1CCCN(C)CC1
InChIInChI=1S/C13H29N3/c1-5-13(7-10-14(2)3)16-9-6-8-15(4)11-12-16/h13H,5-12H2,1-4H3
InChIKeyLUIQWWYAYZJJKE-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexan-3-yl-4-methyl-1,4-diazepane
CID 170392230
2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 43209332
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
1-heptan-3-ylazetidine
CID 172721722
1-pentan-3-yl-4-propan-2-yl-1,4-diazepane
CID 168909794
1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
CID 58786587
4,4-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62950781
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
CID 118278399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine (CID 70961776) is N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine is CCC(CCN(C)C)N1CCCN(C)CC1.
What is the InChIKey of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
The InChIKey is LUIQWWYAYZJJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-13(7-10-14(2)3)16-9-6-8-15(4)11-12-16/h13H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine?
N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine is sourced from PubChem (CID 70961776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).