1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine

C14H26N2 — CID 114416143

IUPAC1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
SMILESC#CC(C)NC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H26N2/c1-5-12(4)16-14(10-15)8-6-13(7-9-14)11(2)3/h1,11-13,16H,6-10,15H2,2-4H3
InChIKeyUAVFTNVHHFHXKJ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.14
Rot. Bonds4

About 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 114416143) 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-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
PubChem CID114416143
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
SMILESC#CC(C)NC1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H26N2/c1-5-12(4)16-14(10-15)8-6-13(7-9-14)11(2)3/h1,11-13,16H,6-10,15H2,2-4H3
InChIKeyUAVFTNVHHFHXKJ-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.14
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-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415888
1-(aminomethyl)-N-but-3-yn-2-yl-4,4-dimethylcycloheptan-1-amine
CID 114415937
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
4-(aminomethyl)-N-but-3-yn-2-yl-1,1-dioxothian-4-amine
CID 114416146
3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
CID 114416226
1-(aminomethyl)-N-but-3-yn-2-yl-3-cyclopropylcyclohexan-1-amine
CID 114416286
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
CID 65379712
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine (CID 114416143) is 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine is C#CC(C)NC1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is UAVFTNVHHFHXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-12(4)16-14(10-15)8-6-13(7-9-14)11(2)3/h1,11-13,16H,6-10,15H2,2-4H3.
What are the key properties of 1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.14, 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-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114416143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).