2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine

C14H27N — CID 129197644

IUPAC2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine
SMILESC=C(C)NC(C(=C)C(C)C)C(C)(C)CC
InChIInChI=1S/C14H27N/c1-9-14(7,8)13(15-11(4)5)12(6)10(2)3/h10,13,15H,4,6,9H2,1-3,5,7-8H3
InChIKeyCLOQQFCPKJDRDC-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.13
Rot. Bonds6

About 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine

2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine (PubChem CID 129197644) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine.

Molecular Properties

Compound Name2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine
PubChem CID129197644
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine
SMILESC=C(C)NC(C(=C)C(C)C)C(C)(C)CC
InChIInChI=1S/C14H27N/c1-9-14(7,8)13(15-11(4)5)12(6)10(2)3/h10,13,15H,4,6,9H2,1-3,5,7-8H3
InChIKeyCLOQQFCPKJDRDC-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 132222077
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
N-(3-cyclopentylprop-1-en-2-yl)-4-fluoro-2,4-dimethylpent-1-en-3-amine
CID 143786509
3-ethyl-4-methyl-N-(2-methylpent-1-en-3-yl)penta-1,4-dien-2-amine
CID 57525948
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
CID 58185963
2-Tert-butyl-6-methylidenepiperidine
CID 59464695
N-ethyl-2,4-dimethylhex-1-en-3-amine
CID 79177722
(3R,5R)-3-[(2S)-butan-2-yl]-N-ethyl-5-methylhept-1-en-2-amine
CID 87112833
N,2,2,5,7-pentamethyl-6-methylideneoctan-4-amine
CID 89076765
3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine
CID 89192234
N-ethyl-6,6,7-trimethyl-4-methylideneoct-7-en-3-amine
CID 89217463
2-(2,2-Dimethylpropyl)-5-methylidenepyrrolidine
CID 89901436

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine?
The IUPAC name of 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine (CID 129197644) is 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine.
What is the SMILES notation for 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine?
The canonical SMILES for 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine is C=C(C)NC(C(=C)C(C)C)C(C)(C)CC.
What is the InChIKey of 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine?
The InChIKey is CLOQQFCPKJDRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-9-14(7,8)13(15-11(4)5)12(6)10(2)3/h10,13,15H,4,6,9H2,1-3,5,7-8H3.
What are the key properties of 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine?
2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine has a molecular weight of 209.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine is sourced from PubChem (CID 129197644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).