N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine

C10H21NO — CID 90709463

IUPACN,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine
SMILESCC(C)C=COCCCN(C)C
InChIInChI=1S/C10H21NO/c1-10(2)6-9-12-8-5-7-11(3)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyTYHPKKPMEZSHGQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds6

About N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine

N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine (PubChem CID 90709463) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine
PubChem CID90709463
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine
SMILESCC(C)C=COCCCN(C)C
InChIInChI=1S/C10H21NO/c1-10(2)6-9-12-8-5-7-11(3)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyTYHPKKPMEZSHGQ-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(1E,3Z,5E)-1-butoxy-7-methylocta-1,3,5-triene
CID 88539087
CID 59347745
CID 59347745
6-fluoro-N,N,9-trimethyldec-7-en-1-amine
CID 167278138
(E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine
CID 167048594
N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
CID 62459512
3-(dimethylamino)propyl N-methylsulfamate
CID 141171318
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
3-(dimethylamino)propyl 3-methylbutanoate
CID 58070061
2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine
CID 62458457
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine (CID 90709463) is N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine is CC(C)C=COCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine?
The InChIKey is TYHPKKPMEZSHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)6-9-12-8-5-7-11(3)4/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine?
N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine is sourced from PubChem (CID 90709463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).