1-dodecyl-3,3-dimethylcyclopentan-1-amine

C19H39N — CID 80705069

IUPAC1-dodecyl-3,3-dimethylcyclopentan-1-amine
SMILESCCCCCCCCCCCCC1(N)CCC(C)(C)C1
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-19(20)16-15-18(2,3)17-19/h4-17,20H2,1-3H3
InChIKeyPTTPSSJBCCDMBV-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.20
Rot. Bonds11

About 1-dodecyl-3,3-dimethylcyclopentan-1-amine

1-dodecyl-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705069) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-dodecyl-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-dodecyl-3,3-dimethylcyclopentan-1-amine
PubChem CID80705069
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-dodecyl-3,3-dimethylcyclopentan-1-amine
SMILESCCCCCCCCCCCCC1(N)CCC(C)(C)C1
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-19(20)16-15-18(2,3)17-19/h4-17,20H2,1-3H3
InChIKeyPTTPSSJBCCDMBV-UHFFFAOYSA-N
XLogP6.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961186
1-decylcyclopropan-1-amine
CID 66023987
1-pentylcyclopropan-1-amine
CID 66023547
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
1-heptylcycloheptan-1-amine
CID 63407607
4-heptyloxan-4-amine
CID 63220508
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
1-(aminomethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705509
1-hexyl-3,4-dimethylcyclohexan-1-amine
CID 64733757
4,4-dimethyl-1-propylcycloheptan-1-amine
CID 65084317
1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-dodecyl-3,3-dimethylcyclopentan-1-amine (CID 80705069) is 1-dodecyl-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-dodecyl-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-dodecyl-3,3-dimethylcyclopentan-1-amine is CCCCCCCCCCCCC1(N)CCC(C)(C)C1.
What is the InChIKey of 1-dodecyl-3,3-dimethylcyclopentan-1-amine?
The InChIKey is PTTPSSJBCCDMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-19(20)16-15-18(2,3)17-19/h4-17,20H2,1-3H3.
What are the key properties of 1-dodecyl-3,3-dimethylcyclopentan-1-amine?
1-dodecyl-3,3-dimethylcyclopentan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).