2-[3-(dimethylamino)propyl]cycloheptan-1-amine

C12H26N2 — CID 82398042

IUPAC2-[3-(dimethylamino)propyl]cycloheptan-1-amine
SMILESCN(C)CCCC1CCCCCC1N
InChIInChI=1S/C12H26N2/c1-14(2)10-6-8-11-7-4-3-5-9-12(11)13/h11-12H,3-10,13H2,1-2H3
InChIKeyCIPGQKVKWGIADH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]cycloheptan-1-amine

2-[3-(dimethylamino)propyl]cycloheptan-1-amine (PubChem CID 82398042) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]cycloheptan-1-amine
PubChem CID82398042
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-[3-(dimethylamino)propyl]cycloheptan-1-amine
SMILESCN(C)CCCC1CCCCCC1N
InChIInChI=1S/C12H26N2/c1-14(2)10-6-8-11-7-4-3-5-9-12(11)13/h11-12H,3-10,13H2,1-2H3
InChIKeyCIPGQKVKWGIADH-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

N'-[2-(2-aminocyclopentyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79565567
N-[2-(2-aminocyclopentyl)ethyl]-N-methylcyclohexanamine
CID 79569478
2-pentylcyclohexan-1-amine
CID 23132313
2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
2-(3-ethoxypropyl)cycloheptan-1-amine
CID 65180588
N'-[(2-aminocycloheptyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611045
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63191344
2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62614941
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]cycloheptan-1-amine?
The IUPAC name of 2-[3-(dimethylamino)propyl]cycloheptan-1-amine (CID 82398042) is 2-[3-(dimethylamino)propyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]cycloheptan-1-amine?
The canonical SMILES for 2-[3-(dimethylamino)propyl]cycloheptan-1-amine is CN(C)CCCC1CCCCCC1N.
What is the InChIKey of 2-[3-(dimethylamino)propyl]cycloheptan-1-amine?
The InChIKey is CIPGQKVKWGIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-14(2)10-6-8-11-7-4-3-5-9-12(11)13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]cycloheptan-1-amine?
2-[3-(dimethylamino)propyl]cycloheptan-1-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 2-[3-(dimethylamino)propyl]cycloheptan-1-amine is sourced from PubChem (CID 82398042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).