1-(4-methylazepan-1-yl)pentan-2-amine

C12H26N2 — CID 63624430

IUPAC1-(4-methylazepan-1-yl)pentan-2-amine
SMILESCCCC(N)CN1CCCC(C)CC1
InChIInChI=1S/C12H26N2/c1-3-5-12(13)10-14-8-4-6-11(2)7-9-14/h11-12H,3-10,13H2,1-2H3
InChIKeyZGUJUBCOOPOUAF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-methylazepan-1-yl)pentan-2-amine

1-(4-methylazepan-1-yl)pentan-2-amine (PubChem CID 63624430) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(4-methylazepan-1-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(4-methylazepan-1-yl)pentan-2-amine
PubChem CID63624430
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(4-methylazepan-1-yl)pentan-2-amine
SMILESCCCC(N)CN1CCCC(C)CC1
InChIInChI=1S/C12H26N2/c1-3-5-12(13)10-14-8-4-6-11(2)7-9-14/h11-12H,3-10,13H2,1-2H3
InChIKeyZGUJUBCOOPOUAF-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357
1-piperidin-1-ylpentan-2-amine
CID 43650435
ethyl 2-amino-3-(4-methylazepan-1-yl)propanoate
CID 63623582
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
(2S)-1-(4-methylpiperidin-1-yl)-4-methylsulfanylbutan-2-amine
CID 22689697
4-methoxy-1-(4-methylpiperidin-1-yl)butan-2-amine
CID 62477662
3-amino-4-(4-ethylazepan-1-yl)butan-1-ol
CID 64898347
1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
CID 61442918
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
2-amino-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64797165
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
CID 93255682

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylazepan-1-yl)pentan-2-amine?
The IUPAC name of 1-(4-methylazepan-1-yl)pentan-2-amine (CID 63624430) is 1-(4-methylazepan-1-yl)pentan-2-amine.
What is the SMILES notation for 1-(4-methylazepan-1-yl)pentan-2-amine?
The canonical SMILES for 1-(4-methylazepan-1-yl)pentan-2-amine is CCCC(N)CN1CCCC(C)CC1.
What is the InChIKey of 1-(4-methylazepan-1-yl)pentan-2-amine?
The InChIKey is ZGUJUBCOOPOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-12(13)10-14-8-4-6-11(2)7-9-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(4-methylazepan-1-yl)pentan-2-amine?
1-(4-methylazepan-1-yl)pentan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylazepan-1-yl)pentan-2-amine is sourced from PubChem (CID 63624430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).