3-(3-methylazecan-1-yl)propan-1-amine

C13H28N2 — CID 10680071

IUPAC3-(3-methylazecan-1-yl)propan-1-amine
SMILESCC1CCCCCCCN(CCCN)C1
InChIInChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-10-15(12-13)11-7-9-14/h13H,2-12,14H2,1H3
InChIKeyPPPRFIZNQYJYBX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds3

About 3-(3-methylazecan-1-yl)propan-1-amine

3-(3-methylazecan-1-yl)propan-1-amine (PubChem CID 10680071) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-(3-methylazecan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methylazecan-1-yl)propan-1-amine
PubChem CID10680071
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-(3-methylazecan-1-yl)propan-1-amine
SMILESCC1CCCCCCCN(CCCN)C1
InChIInChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-10-15(12-13)11-7-9-14/h13H,2-12,14H2,1H3
InChIKeyPPPRFIZNQYJYBX-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
1-butyl-3-methylpiperidine;ethane
CID 143349503
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
ethane;1-ethyl-3-methylazepane
CID 142283412
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159617
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylazecan-1-yl)propan-1-amine?
The IUPAC name of 3-(3-methylazecan-1-yl)propan-1-amine (CID 10680071) is 3-(3-methylazecan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methylazecan-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-methylazecan-1-yl)propan-1-amine is CC1CCCCCCCN(CCCN)C1.
What is the InChIKey of 3-(3-methylazecan-1-yl)propan-1-amine?
The InChIKey is PPPRFIZNQYJYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-10-15(12-13)11-7-9-14/h13H,2-12,14H2,1H3.
What are the key properties of 3-(3-methylazecan-1-yl)propan-1-amine?
3-(3-methylazecan-1-yl)propan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylazecan-1-yl)propan-1-amine is sourced from PubChem (CID 10680071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).