3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine

C12H25N — CID 114449141

IUPAC3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine
SMILESC=C(C)CCNC(C)C(CC)CC
InChIInChI=1S/C12H25N/c1-6-12(7-2)11(5)13-9-8-10(3)4/h11-13H,3,6-9H2,1-2,4-5H3
InChIKeyKBZOCZBVVFNKLN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds7

About 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine

3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine (PubChem CID 114449141) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine
PubChem CID114449141
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine
SMILESC=C(C)CCNC(C)C(CC)CC
InChIInChI=1S/C12H25N/c1-6-12(7-2)11(5)13-9-8-10(3)4/h11-13H,3,6-9H2,1-2,4-5H3
InChIKeyKBZOCZBVVFNKLN-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
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

ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
N-(3-methylbut-3-enyl)hexan-2-amine
CID 114472228
4-(3-ethylpentan-2-ylamino)-2-methylbutan-2-ol
CID 79355880
2-(3-methylbut-3-enylamino)propanamide
CID 114472047
2-methyl-N-(3-methylbut-3-enyl)propanamide
CID 59532958
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
CID 77027423
2-[(3-ethylpentan-2-ylamino)methyl]prop-2-enoic acid
CID 103250756
N'-tert-butyl-N-(3-ethylpentan-2-yl)ethane-1,2-diamine
CID 107445666
3-ethyl-N-(3-methoxypropyl)pentan-2-amine
CID 63838999
N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine
CID 114449137
4-(3-ethylpentan-2-ylamino)butanenitrile
CID 63836874

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine?
The IUPAC name of 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine (CID 114449141) is 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine?
The canonical SMILES for 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine is C=C(C)CCNC(C)C(CC)CC.
What is the InChIKey of 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine?
The InChIKey is KBZOCZBVVFNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-12(7-2)11(5)13-9-8-10(3)4/h11-13H,3,6-9H2,1-2,4-5H3.
What are the key properties of 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine?
3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine is sourced from PubChem (CID 114449141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).