N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine

C13H25N — CID 141178163

IUPACN-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
SMILESC=CCN(C)C(CCC)C(=C)CCC
InChIInChI=1S/C13H25N/c1-6-9-12(4)13(10-7-2)14(5)11-8-3/h8,13H,3-4,6-7,9-11H2,1-2,5H3
InChIKeyUFZDUPJXPLODMQ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.63
Rot. Bonds8

About N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine

N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine (PubChem CID 141178163) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine.

Molecular Properties

Compound NameN-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
PubChem CID141178163
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
SMILESC=CCN(C)C(CCC)C(=C)CCC
InChIInChI=1S/C13H25N/c1-6-9-12(4)13(10-7-2)14(5)11-8-3/h8,13H,3-4,6-7,9-11H2,1-2,5H3
InChIKeyUFZDUPJXPLODMQ-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
CID 87879167
1-[methyl(prop-2-enyl)amino]propan-1-ol;hydrochloride
CID 173390192
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754
4-chloro-5-methylideneoctane
CID 56986746
N,2,5-trimethyl-4-methylidene-N-prop-2-enylhexan-3-amine
CID 141178158
4-methylidene-3-propan-2-ylhept-1-ene
CID 123221748
ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
CID 83043236
(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
CID 171624070
5-chloro-4-methylideneoct-1-ene
CID 57069417
1-(prop-2-enylamino)butan-1-ol;hydrochloride
CID 174837372
but-1-ene;N,N-dimethylpentan-2-amine;ethane
CID 145343513
(2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol
CID 10727286

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine?
The IUPAC name of N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine (CID 141178163) is N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine.
What is the SMILES notation for N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine?
The canonical SMILES for N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine is C=CCN(C)C(CCC)C(=C)CCC.
What is the InChIKey of N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine?
The InChIKey is UFZDUPJXPLODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-9-12(4)13(10-7-2)14(5)11-8-3/h8,13H,3-4,6-7,9-11H2,1-2,5H3.
What are the key properties of N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine?
N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine has a molecular weight of 195.35 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine is sourced from PubChem (CID 141178163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).