1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine

C14H24N2 — CID 114416286

IUPAC1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine
SMILESC#CC(C)NC1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C14H24N2/c1-3-11(2)16-14(10-15)8-4-5-13(9-14)12-6-7-12/h1,11-13,16H,4-10,15H2,2H3
InChIKeyOFGCBTLSNIUCGR-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.90
Rot. Bonds4

About 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine

1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine (PubChem CID 114416286) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine
PubChem CID114416286
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine
SMILESC#CC(C)NC1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C14H24N2/c1-3-11(2)16-14(10-15)8-4-5-13(9-14)12-6-7-12/h1,11-13,16H,4-10,15H2,2H3
InChIKeyOFGCBTLSNIUCGR-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.90
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-4,4-dimethylcycloheptan-1-amine
CID 114415937
1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 114416143
[2-[[1-(aminomethyl)-3-cyclopropylcyclohexyl]amino]cyclohexyl]methanol
CID 106360376
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]piperidin-1-amine
CID 83011314
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
4-(aminomethyl)-N-but-3-yn-2-yl-1,1-dioxothian-4-amine
CID 114416146
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol
CID 83176449
1-(aminomethyl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64500541
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]morpholin-4-amine
CID 83011983

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine (CID 114416286) is 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine is C#CC(C)NC1(CN)CCCC(C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine?
The InChIKey is OFGCBTLSNIUCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-11(2)16-14(10-15)8-4-5-13(9-14)12-6-7-12/h1,11-13,16H,4-10,15H2,2H3.
What are the key properties of 1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine?
1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 1.90, 4 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-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 114416286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).