N-butyl-2-methylidenepentan-1-amine

C10H21N — CID 88829510

IUPACN-butyl-2-methylidenepentan-1-amine
SMILESC=C(CCC)CNCCCC
InChIInChI=1S/C10H21N/c1-4-6-8-11-9-10(3)7-5-2/h11H,3-9H2,1-2H3
InChIKeyATNXBPXXKWUDMA-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.73
Rot. Bonds7

About N-butyl-2-methylidenepentan-1-amine

N-butyl-2-methylidenepentan-1-amine (PubChem CID 88829510) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-butyl-2-methylidenepentan-1-amine.

Molecular Properties

Compound NameN-butyl-2-methylidenepentan-1-amine
PubChem CID88829510
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-butyl-2-methylidenepentan-1-amine
SMILESC=C(CCC)CNCCCC
InChIInChI=1S/C10H21N/c1-4-6-8-11-9-10(3)7-5-2/h11H,3-9H2,1-2H3
InChIKeyATNXBPXXKWUDMA-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.73
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

3-(2-methylidenenonylamino)propanenitrile
CID 163840487
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
butylaminomethanol;propane
CID 169245417
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
N-butylbutan-1-amine;hydrochloride
CID 3083954
4,7-dimethylidenedecane
CID 543440
N-butylbutan-1-amine;propan-1-ol
CID 174657089
N-methyl-2-methylidenedecan-1-amine
CID 126493414
2-(butylamino)acetyl chloride;hydrochloride
CID 87301147
1-[bis[2-(butylamino)pent-1-enyl]phosphoryl]-N-butylpent-1-en-2-amine
CID 149435497

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylidenepentan-1-amine?
The IUPAC name of N-butyl-2-methylidenepentan-1-amine (CID 88829510) is N-butyl-2-methylidenepentan-1-amine.
What is the SMILES notation for N-butyl-2-methylidenepentan-1-amine?
The canonical SMILES for N-butyl-2-methylidenepentan-1-amine is C=C(CCC)CNCCCC.
What is the InChIKey of N-butyl-2-methylidenepentan-1-amine?
The InChIKey is ATNXBPXXKWUDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-6-8-11-9-10(3)7-5-2/h11H,3-9H2,1-2H3.
What are the key properties of N-butyl-2-methylidenepentan-1-amine?
N-butyl-2-methylidenepentan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylidenepentan-1-amine is sourced from PubChem (CID 88829510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).