N,4-dimethyl-3-methylidenepentan-1-amine

C8H17N — CID 90839476

IUPACN,4-dimethyl-3-methylidenepentan-1-amine
SMILESC=C(CCNC)C(C)C
InChIInChI=1S/C8H17N/c1-7(2)8(3)5-6-9-4/h7,9H,3,5-6H2,1-2,4H3
InChIKeyGIMXORXRVPDJHY-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.81
Rot. Bonds4

About N,4-dimethyl-3-methylidenepentan-1-amine

N,4-dimethyl-3-methylidenepentan-1-amine (PubChem CID 90839476) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,4-dimethyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-methylidenepentan-1-amine
PubChem CID90839476
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,4-dimethyl-3-methylidenepentan-1-amine
SMILESC=C(CCNC)C(C)C
InChIInChI=1S/C8H17N/c1-7(2)8(3)5-6-9-4/h7,9H,3,5-6H2,1-2,4H3
InChIKeyGIMXORXRVPDJHY-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
Bis(2-isopropylallyl)amine
CID 21496896
(2S)-N-ethyl-2-(fluoromethyl)-3-methylbut-3-en-1-amine
CID 89146560
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
CID 163835903
N-(4-fluoro-2-methylidenebutyl)-2-methylpentan-1-amine
CID 167286424
2-methyl-N-prop-2-enylhex-5-en-1-amine
CID 11228913
N-but-3-enyl-2-methylhex-5-en-1-amine
CID 11367216
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
CID 134994094
2-ethenyl-N-methylhexan-1-amine
CID 13601827
Methyl(2-methylhex-5-en-1-yl)amine
CID 17825002
N-ethyl-2-methylhept-6-en-1-amine
CID 17825107

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-methylidenepentan-1-amine?
The IUPAC name of N,4-dimethyl-3-methylidenepentan-1-amine (CID 90839476) is N,4-dimethyl-3-methylidenepentan-1-amine.
What is the SMILES notation for N,4-dimethyl-3-methylidenepentan-1-amine?
The canonical SMILES for N,4-dimethyl-3-methylidenepentan-1-amine is C=C(CCNC)C(C)C.
What is the InChIKey of N,4-dimethyl-3-methylidenepentan-1-amine?
The InChIKey is GIMXORXRVPDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)8(3)5-6-9-4/h7,9H,3,5-6H2,1-2,4H3.
What are the key properties of N,4-dimethyl-3-methylidenepentan-1-amine?
N,4-dimethyl-3-methylidenepentan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 90839476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).