N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine

C25H49N — CID 70383627

IUPACN-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine
SMILESC=C[C@H](CC1(CCCNCCCCCCCCC)CCCCC1)C(C)C
InChIInChI=1S/C25H49N/c1-5-7-8-9-10-11-15-20-26-21-16-19-25(17-13-12-14-18-25)22-24(6-2)23(3)4/h6,23-24,26H,2,5,7-22H2,1,3-4H3/t24-/m1/s1
InChIKeyOXYFVORRBZLANV-XMMPIXPASA-N
MW363.67 g/mol
LogP7.91
Rot. Bonds16

About N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine

N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine (PubChem CID 70383627) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine.

Molecular Properties

Compound NameN-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine
PubChem CID70383627
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC NameN-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine
SMILESC=C[C@H](CC1(CCCNCCCCCCCCC)CCCCC1)C(C)C
InChIInChI=1S/C25H49N/c1-5-7-8-9-10-11-15-20-26-21-16-19-25(17-13-12-14-18-25)22-24(6-2)23(3)4/h6,23-24,26H,2,5,7-22H2,1,3-4H3/t24-/m1/s1
InChIKeyOXYFVORRBZLANV-XMMPIXPASA-N
XLogP7.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine
CID 25242507
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine
CID 44570775
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]butan-1-amine
CID 44570707
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine
CID 44570708
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclohexanamine
CID 44570709
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclooctanamine
CID 44570710
4-(6-Fluoro-6-methylnon-8-enyl)-4-propylpiperidine
CID 91189069
7-N-ethyl-3-fluoro-4,4,12-trimethyl-8-propan-2-yltridec-1-ene-5,7-diamine
CID 91353599
(2S,4R)-N-but-3-en-2-yl-7-fluoro-2-methyl-1-[1-(4-methylcyclohexyl)cyclopropyl]octan-4-amine
CID 173516526
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
N-(cyclohexylmethyl)-2,2-dimethylpent-4-en-1-amine
CID 85617980
N-[(7,8,9,10-tetramethyl-1-tricyclo[4.2.2.22,5]dodeca-3,7,11-trienyl)methyl]ethanamine
CID 135011462

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine?
The IUPAC name of N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine (CID 70383627) is N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine.
What is the SMILES notation for N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine?
The canonical SMILES for N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine is C=C[C@H](CC1(CCCNCCCCCCCCC)CCCCC1)C(C)C.
What is the InChIKey of N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine?
The InChIKey is OXYFVORRBZLANV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H49N/c1-5-7-8-9-10-11-15-20-26-21-16-19-25(17-13-12-14-18-25)22-24(6-2)23(3)4/h6,23-24,26H,2,5,7-22H2,1,3-4H3/t24-/m1/s1.
What are the key properties of N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine?
N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine has a molecular weight of 363.67 g/mol, XLogP of 7.91, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2R)-2-propan-2-ylbut-3-enyl]cyclohexyl]propyl]nonan-1-amine is sourced from PubChem (CID 70383627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).