N,4-dimethyl-1-propoxypent-3-en-2-amine

C10H21NO — CID 79190415

IUPACN,4-dimethyl-1-propoxypent-3-en-2-amine
SMILESCCCOCC(C=C(C)C)NC
InChIInChI=1S/C10H21NO/c1-5-6-12-8-10(11-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3
InChIKeyXWUMFOKWACUKNP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About N,4-dimethyl-1-propoxypent-3-en-2-amine

N,4-dimethyl-1-propoxypent-3-en-2-amine (PubChem CID 79190415) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,4-dimethyl-1-propoxypent-3-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-propoxypent-3-en-2-amine
PubChem CID79190415
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,4-dimethyl-1-propoxypent-3-en-2-amine
SMILESCCCOCC(C=C(C)C)NC
InChIInChI=1S/C10H21NO/c1-5-6-12-8-10(11-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3
InChIKeyXWUMFOKWACUKNP-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Crotyl(3-isopropenyl-2-yl)morpholinium bromide
CID 129795383
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215720
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215725
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215727
N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
CID 103475527
4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
CID 103475927
N-ethyl-4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
CID 113819973
(2E,3Z)-2-ethylidene-N-[(2R)-1-methoxypropan-2-yl]-5-methylhexa-3,5-dien-1-amine
CID 88268271
N-(2,3-dihydrofuran-5-ylmethyl)propan-2-amine
CID 102651561
(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine
CID 121451095
(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine
CID 130456760
(3E,5Z)-N-(2-ethoxyethyl)-3-methylhepta-3,5-dien-2-amine
CID 138703319

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-propoxypent-3-en-2-amine?
The IUPAC name of N,4-dimethyl-1-propoxypent-3-en-2-amine (CID 79190415) is N,4-dimethyl-1-propoxypent-3-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-propoxypent-3-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-propoxypent-3-en-2-amine is CCCOCC(C=C(C)C)NC.
What is the InChIKey of N,4-dimethyl-1-propoxypent-3-en-2-amine?
The InChIKey is XWUMFOKWACUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-12-8-10(11-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3.
What are the key properties of N,4-dimethyl-1-propoxypent-3-en-2-amine?
N,4-dimethyl-1-propoxypent-3-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-propoxypent-3-en-2-amine is sourced from PubChem (CID 79190415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).