(1-methyl-5-propylazepan-4-yl)methanamine

C11H24N2 — CID 84769502

IUPAC(1-methyl-5-propylazepan-4-yl)methanamine
SMILESCCCC1CCN(C)CCC1CN
InChIInChI=1S/C11H24N2/c1-3-4-10-5-7-13(2)8-6-11(10)9-12/h10-11H,3-9,12H2,1-2H3
InChIKeyAAOGOFKXALFPPA-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.70
Rot. Bonds3

About (1-methyl-5-propylazepan-4-yl)methanamine

(1-methyl-5-propylazepan-4-yl)methanamine (PubChem CID 84769502) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (1-methyl-5-propylazepan-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-5-propylazepan-4-yl)methanamine
PubChem CID84769502
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(1-methyl-5-propylazepan-4-yl)methanamine
SMILESCCCC1CCN(C)CCC1CN
InChIInChI=1S/C11H24N2/c1-3-4-10-5-7-13(2)8-6-11(10)9-12/h10-11H,3-9,12H2,1-2H3
InChIKeyAAOGOFKXALFPPA-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methyl-3-propylpiperidin-4-yl)methanamine
CID 84765836
(4S)-1,4-dimethyl-5-propylazepane
CID 145369444
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
(4-propylthiolan-3-yl)methanamine
CID 84764177
(2-ethylcyclobutyl)methanamine
CID 58519219
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine
CID 82598283

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propylazepan-4-yl)methanamine?
The IUPAC name of (1-methyl-5-propylazepan-4-yl)methanamine (CID 84769502) is (1-methyl-5-propylazepan-4-yl)methanamine.
What is the SMILES notation for (1-methyl-5-propylazepan-4-yl)methanamine?
The canonical SMILES for (1-methyl-5-propylazepan-4-yl)methanamine is CCCC1CCN(C)CCC1CN.
What is the InChIKey of (1-methyl-5-propylazepan-4-yl)methanamine?
The InChIKey is AAOGOFKXALFPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-4-10-5-7-13(2)8-6-11(10)9-12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of (1-methyl-5-propylazepan-4-yl)methanamine?
(1-methyl-5-propylazepan-4-yl)methanamine has a molecular weight of 184.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propylazepan-4-yl)methanamine is sourced from PubChem (CID 84769502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).