3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine

C14H27N — CID 79185600

IUPAC3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCC(C)C1
InChIInChI=1S/C14H27N/c1-5-8-15-14(9-11(2)3)13-7-6-12(4)10-13/h12-15H,2,5-10H2,1,3-4H3
InChIKeyDKEGWOUNBBLVEE-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds6

About 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine

3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine (PubChem CID 79185600) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
PubChem CID79185600
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCC(C)C1
InChIInChI=1S/C14H27N/c1-5-8-15-14(9-11(2)3)13-7-6-12(4)10-13/h12-15H,2,5-10H2,1,3-4H3
InChIKeyDKEGWOUNBBLVEE-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
CID 79179369
1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79185086
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004175
3-methyl-1-(2-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 107189757
N,3-dimethyl-1-(3-methylcyclohexyl)but-3-en-1-amine
CID 79178266
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
N-methyl-1-(3-methylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037347
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005744
1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
CID 116723864
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine (CID 79185600) is 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1CCC(C)C1.
What is the InChIKey of 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine?
The InChIKey is DKEGWOUNBBLVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-8-15-14(9-11(2)3)13-7-6-12(4)10-13/h12-15H,2,5-10H2,1,3-4H3.
What are the key properties of 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine?
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79185600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).