(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine

C12H26N2O — CID 173467081

IUPAC(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine
SMILESCCC(N)CO/C(C)=C/CCNC(C)C
InChIInChI=1S/C12H26N2O/c1-5-12(13)9-15-11(4)7-6-8-14-10(2)3/h7,10,12,14H,5-6,8-9,13H2,1-4H3/b11-7+
InChIKeyVTTHENOMUAGZTC-YRNVUSSQSA-N
MW214.35 g/mol
LogP2.03
Rot. Bonds8

About (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine

(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 173467081) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine
PubChem CID173467081
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine
SMILESCCC(N)CO/C(C)=C/CCNC(C)C
InChIInChI=1S/C12H26N2O/c1-5-12(13)9-15-11(4)7-6-8-14-10(2)3/h7,10,12,14H,5-6,8-9,13H2,1-4H3/b11-7+
InChIKeyVTTHENOMUAGZTC-YRNVUSSQSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine
CID 90764428
4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine
CID 79598493
2-aminobutyl 2-methylpropanoate
CID 123412425
5-methoxy-4-methylhex-3-en-1-ol
CID 91271839
3-methylhept-3-en-2-amine
CID 130574470
(E)-3-methylhept-3-en-2-amine
CID 163910373
(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 79592541
N-tert-butyl-4,5-dimethylhept-3-en-1-amine
CID 79607630
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106882828
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79599390

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine (CID 173467081) is (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine is CCC(N)CO/C(C)=C/CCNC(C)C.
What is the InChIKey of (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is VTTHENOMUAGZTC-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-12(13)9-15-11(4)7-6-8-14-10(2)3/h7,10,12,14H,5-6,8-9,13H2,1-4H3/b11-7+.
What are the key properties of (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine?
(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 214.35 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 173467081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).