1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine

C14H26N2 — CID 114415937

IUPAC1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine
SMILESC#CC(C)NC1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C14H26N2/c1-5-12(2)16-14(11-15)8-6-7-13(3,4)9-10-14/h1,12,16H,6-11,15H2,2-4H3
InChIKeyJSDVAXPVBZZJLG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.29
Rot. Bonds3

About 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine (PubChem CID 114415937) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine
PubChem CID114415937
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine
SMILESC#CC(C)NC1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C14H26N2/c1-5-12(2)16-14(11-15)8-6-7-13(3,4)9-10-14/h1,12,16H,6-11,15H2,2-4H3
InChIKeyJSDVAXPVBZZJLG-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.29
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-yn-2-ylcyclobutan-1-amine
CID 114415847
1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 114416143
1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine
CID 114416286
4-(aminomethyl)-N-but-3-yn-2-yl-1,1-dioxothian-4-amine
CID 114416146
1-(aminomethyl)-N-but-3-ynyl-4,4-dimethylcycloheptan-1-amine
CID 116641100
1-(aminomethyl)-N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415888
3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
CID 114416226
3-(aminomethyl)-1-benzyl-N-but-3-yn-2-ylpiperidin-3-amine
CID 114416325
4-[[1-(aminomethyl)cyclopropyl]amino]pentan-1-ol
CID 106661332
1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
CID 79520652
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116
3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol
CID 83177389

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine (CID 114415937) is 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine is C#CC(C)NC1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine?
The InChIKey is JSDVAXPVBZZJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-12(2)16-14(11-15)8-6-7-13(3,4)9-10-14/h1,12,16H,6-11,15H2,2-4H3.
What are the key properties of 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 114415937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).