3-[(2-methylazepan-1-yl)methyl]pentan-3-amine

C13H28N2 — CID 79813474

IUPAC3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCCCCC1C
InChIInChI=1S/C13H28N2/c1-4-13(14,5-2)11-15-10-8-6-7-9-12(15)3/h12H,4-11,14H2,1-3H3
InChIKeyWCECQRFRZBCCCR-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds4

About 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine

3-[(2-methylazepan-1-yl)methyl]pentan-3-amine (PubChem CID 79813474) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
PubChem CID79813474
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCCCCC1C
InChIInChI=1S/C13H28N2/c1-4-13(14,5-2)11-15-10-8-6-7-9-12(15)3/h12H,4-11,14H2,1-3H3
InChIKeyWCECQRFRZBCCCR-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-2-methylazepane
CID 145020951
1-[2-(bromomethyl)-2-ethylbutyl]-2-methylazepane
CID 65003407
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pentan-3-amine
CID 79812295
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
1-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 64818768
1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine
CID 134568282
2-methyl-1-pentylazepane
CID 134994557
(2-methylpiperidin-1-yl)methanol
CID 67262865
[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 22406539
2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid
CID 62272835
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine (CID 79813474) is 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine is CCC(N)(CC)CN1CCCCCC1C.
What is the InChIKey of 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine?
The InChIKey is WCECQRFRZBCCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-13(14,5-2)11-15-10-8-6-7-9-12(15)3/h12H,4-11,14H2,1-3H3.
What are the key properties of 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine?
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylazepan-1-yl)methyl]pentan-3-amine is sourced from PubChem (CID 79813474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).