(E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine

C15H31N — CID 134993260

IUPAC(E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine
SMILESCC(/C=C/N(C(C)C)C(C)C)CC(C)(C)C
InChIInChI=1S/C15H31N/c1-12(2)16(13(3)4)10-9-14(5)11-15(6,7)8/h9-10,12-14H,11H2,1-8H3/b10-9+
InChIKeyPOJWZOICOAEIQX-MDZDMXLPSA-N
MW225.42 g/mol
LogP4.69
Rot. Bonds5

About (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine

(E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine (PubChem CID 134993260) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine
PubChem CID134993260
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine
SMILESCC(/C=C/N(C(C)C)C(C)C)CC(C)(C)C
InChIInChI=1S/C15H31N/c1-12(2)16(13(3)4)10-9-14(5)11-15(6,7)8/h9-10,12-14H,11H2,1-8H3/b10-9+
InChIKeyPOJWZOICOAEIQX-MDZDMXLPSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-tert-butyl-N-propan-2-ylhex-1-en-1-amine
CID 101736325
N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
CID 140780277
Ethyl-methyl-isooctenyl amine
CID 54102089
(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine
CID 134853882
(E)-N,N,3,5,5-pentamethylhex-1-en-1-amine
CID 134933360
(E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine
CID 11287890
1,2-Di(propan-2-yl)-2,3-dihydropyrrole
CID 21063760
(3R)-N,N-diethyl-3-methylhept-1-en-1-amine
CID 53756054
N-ethyl-3-methyl-N-propan-2-ylbut-1-en-1-amine
CID 54249358
N,N-diethyl-3-methylhept-1-en-1-amine
CID 57272761
3-tert-butyl-1-methyl-4H-pyridine
CID 58596487
1,2-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 59559362

Frequently Asked Questions

What is the IUPAC name of (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine?
The IUPAC name of (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine (CID 134993260) is (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine.
What is the SMILES notation for (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine?
The canonical SMILES for (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine is CC(/C=C/N(C(C)C)C(C)C)CC(C)(C)C.
What is the InChIKey of (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine?
The InChIKey is POJWZOICOAEIQX-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)16(13(3)4)10-9-14(5)11-15(6,7)8/h9-10,12-14H,11H2,1-8H3/b10-9+.
What are the key properties of (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine?
(E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine is sourced from PubChem (CID 134993260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).