3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine

C16H30N2 — CID 121433376

IUPAC3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine
SMILESC=CCNCC1(C)CC(NCC=C)CC(C)(C)C1
InChIInChI=1S/C16H30N2/c1-6-8-17-13-16(5)11-14(18-9-7-2)10-15(3,4)12-16/h6-7,14,17-18H,1-2,8-13H2,3-5H3
InChIKeyLBSFTCUHRNWYGA-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.12
Rot. Bonds7

About 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine

3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine (PubChem CID 121433376) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine
PubChem CID121433376
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine
SMILESC=CCNCC1(C)CC(NCC=C)CC(C)(C)C1
InChIInChI=1S/C16H30N2/c1-6-8-17-13-16(5)11-14(18-9-7-2)10-15(3,4)12-16/h6-7,14,17-18H,1-2,8-13H2,3-5H3
InChIKeyLBSFTCUHRNWYGA-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine (CID 121433376) is 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine is C=CCNCC1(C)CC(NCC=C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine?
The InChIKey is LBSFTCUHRNWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-8-17-13-16(5)11-14(18-9-7-2)10-15(3,4)12-16/h6-7,14,17-18H,1-2,8-13H2,3-5H3.
What are the key properties of 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-prop-2-enyl-5-[(prop-2-enylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 121433376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).