N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine

C11H19N — CID 131175951

IUPACN-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine
SMILESC#CCN(CC)C1CCC(C)C1
InChIInChI=1S/C11H19N/c1-4-8-12(5-2)11-7-6-10(3)9-11/h1,10-11H,5-9H2,2-3H3
InChIKeyDKPNZJRVUPTWJZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.13
Rot. Bonds3

About N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine

N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine (PubChem CID 131175951) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine
PubChem CID131175951
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine
SMILESC#CCN(CC)C1CCC(C)C1
InChIInChI=1S/C11H19N/c1-4-8-12(5-2)11-7-6-10(3)9-11/h1,10-11H,5-9H2,2-3H3
InChIKeyDKPNZJRVUPTWJZ-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid
CID 79284759
N,N-diethyl-4-methylcyclohexan-1-amine;ethane
CID 145372894
N,N-diethyl-3-methylcyclobutan-1-amine
CID 123585979
N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
CID 23299105
3-[ethyl-(4-methylcyclohexyl)amino]propanenitrile
CID 62048384
(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486652
ethane;N,N,3-trimethylcyclopentan-1-amine
CID 91598782
3-(diethylamino)cyclopentane-1-carbonitrile
CID 66607026
3-(diethylamino)cyclopentan-1-ol
CID 79643942
3-methyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79715188
1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol
CID 79389933
N-but-3-ynyl-N-ethylcyclopentanamine
CID 63657034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine (CID 131175951) is N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine is C#CCN(CC)C1CCC(C)C1.
What is the InChIKey of N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine?
The InChIKey is DKPNZJRVUPTWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-8-12(5-2)11-7-6-10(3)9-11/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine?
N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine is sourced from PubChem (CID 131175951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).