1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine

C12H22N2 — CID 106663181

IUPAC1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine
SMILESC#CCNC1(CN)CC(C)(C)CC1C
InChIInChI=1S/C12H22N2/c1-5-6-14-12(9-13)8-11(3,4)7-10(12)2/h1,10,14H,6-9,13H2,2-4H3
InChIKeySFDISRQTUKFDDN-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.36
Rot. Bonds3

About 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine

1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine (PubChem CID 106663181) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine
PubChem CID106663181
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine
SMILESC#CCNC1(CN)CC(C)(C)CC1C
InChIInChI=1S/C12H22N2/c1-5-6-14-12(9-13)8-11(3,4)7-10(12)2/h1,10,14H,6-9,13H2,2-4H3
InChIKeySFDISRQTUKFDDN-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-but-3-ynyl-2,4,4-trimethylcyclohexan-1-amine
CID 116641272
1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
CID 65382192
2,4,4-trimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylic acid
CID 106663396
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-4-methylaniline
CID 106663199
1-(aminomethyl)-N,2,4,4-tetramethylcyclohexan-1-amine
CID 81321065
3-(aminomethyl)-2-methyl-N-prop-2-ynylthian-3-amine
CID 79951330
(1,2,4,4-tetramethylcyclopentyl)methanamine
CID 131550173
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320431
[1-(ethylamino)-2,4,4-trimethylcyclopentyl]methanol
CID 106664015
1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321623
1-(aminomethyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662987
1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 81320515

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine (CID 106663181) is 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine is C#CCNC1(CN)CC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine?
The InChIKey is SFDISRQTUKFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-6-14-12(9-13)8-11(3,4)7-10(12)2/h1,10,14H,6-9,13H2,2-4H3.
What are the key properties of 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine?
1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,4,4-trimethyl-N-prop-2-ynylcyclopentan-1-amine is sourced from PubChem (CID 106663181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).