N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine

C12H27N3 — CID 62038004

IUPACN-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine
SMILESCCNC(CC)CN1CCCN(C)CC1
InChIInChI=1S/C12H27N3/c1-4-12(13-5-2)11-15-8-6-7-14(3)9-10-15/h12-13H,4-11H2,1-3H3
InChIKeyNQASOEXLGKUNMH-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine

N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine (PubChem CID 62038004) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine
PubChem CID62038004
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine
SMILESCCNC(CC)CN1CCCN(C)CC1
InChIInChI=1S/C12H27N3/c1-4-12(13-5-2)11-15-8-6-7-14(3)9-10-15/h12-13H,4-11H2,1-3H3
InChIKeyNQASOEXLGKUNMH-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
CID 62573209
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
1-(2,2-difluoroethyl)-4-methyl-1,4-diazepane
CID 129297477
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
N-ethyl-1-(4-methoxypiperidin-1-yl)butan-2-amine
CID 62038006
N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 62039052
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
1-(4-methylpiperazin-1-yl)butane-2-thiol
CID 123178383
1-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylbutan-2-amine
CID 103532546
N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 66453823

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine (CID 62038004) is N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine is CCNC(CC)CN1CCCN(C)CC1.
What is the InChIKey of N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine?
The InChIKey is NQASOEXLGKUNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-12(13-5-2)11-15-8-6-7-14(3)9-10-15/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine?
N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine is sourced from PubChem (CID 62038004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).