N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine

C17H32N2O — CID 144831315

IUPACN-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine
SMILESC=C(C(N/C(=C\CC)OC)C(C)(C)C)N1CCCC1C
InChIInChI=1S/C17H32N2O/c1-8-10-15(20-7)18-16(17(4,5)6)14(3)19-12-9-11-13(19)2/h10,13,16,18H,3,8-9,11-12H2,1-2,4-7H3/b15-10+
InChIKeyRNOLQPFWCGWGIU-XNTDXEJSSA-N
MW280.46 g/mol
LogP3.89
Rot. Bonds6

About N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine

N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine (PubChem CID 144831315) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine.

Molecular Properties

Compound NameN-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine
PubChem CID144831315
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine
SMILESC=C(C(N/C(=C\CC)OC)C(C)(C)C)N1CCCC1C
InChIInChI=1S/C17H32N2O/c1-8-10-15(20-7)18-16(17(4,5)6)14(3)19-12-9-11-13(19)2/h10,13,16,18H,3,8-9,11-12H2,1-2,4-7H3/b15-10+
InChIKeyRNOLQPFWCGWGIU-XNTDXEJSSA-N
XLogP3.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142517218
cyclopropylmethyl 2-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]-3-ethylpentanoate
CID 143102317
methyl 8-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]amino]-8-oxooctanoate
CID 170412054
7-bromo-N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]heptanamide
CID 166823528
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
CID 134863512
1-imino-3-(2-methylpyrrolidin-1-yl)but-3-en-2-amine
CID 143621630
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine
CID 89058642
N-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]-3-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 176699952
N-methyl-1-[(2R)-2-methylpyrrolidin-1-yl]ethenamine
CID 166869708
methyl N-[3-[(2S)-2-methylpyrrolidin-1-yl]-3-oxoprop-1-en-2-yl]carbamate
CID 130324063

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine?
The IUPAC name of N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine (CID 144831315) is N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine.
What is the SMILES notation for N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine?
The canonical SMILES for N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine is C=C(C(N/C(=C\CC)OC)C(C)(C)C)N1CCCC1C.
What is the InChIKey of N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine?
The InChIKey is RNOLQPFWCGWGIU-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H32N2O/c1-8-10-15(20-7)18-16(17(4,5)6)14(3)19-12-9-11-13(19)2/h10,13,16,18H,3,8-9,11-12H2,1-2,4-7H3/b15-10+.
What are the key properties of N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine?
N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine has a molecular weight of 280.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-methoxybut-1-enyl]-4,4-dimethyl-2-(2-methylpyrrolidin-1-yl)pent-1-en-3-amine is sourced from PubChem (CID 144831315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).