N-methyl-1-propan-2-yloxypent-4-en-2-amine

C9H19NO — CID 116660601

IUPACN-methyl-1-propan-2-yloxypent-4-en-2-amine
SMILESC=CCC(COC(C)C)NC
InChIInChI=1S/C9H19NO/c1-5-6-9(10-4)7-11-8(2)3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyYXKKKHVTDZOUKS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About N-methyl-1-propan-2-yloxypent-4-en-2-amine

N-methyl-1-propan-2-yloxypent-4-en-2-amine (PubChem CID 116660601) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-1-propan-2-yloxypent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yloxypent-4-en-2-amine
PubChem CID116660601
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-1-propan-2-yloxypent-4-en-2-amine
SMILESC=CCC(COC(C)C)NC
InChIInChI=1S/C9H19NO/c1-5-6-9(10-4)7-11-8(2)3/h5,8-10H,1,6-7H2,2-4H3
InChIKeyYXKKKHVTDZOUKS-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
CID 105107974
4-methyl-5-propan-2-yloxypent-1-ene
CID 144799299
2-(methylamino)-3-propan-2-yloxypropan-1-ol
CID 64803823
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
N,4-dimethyl-1-propan-2-yloxypent-4-en-2-amine
CID 105162913
1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine
CID 79093787
N-methyl-1-propan-2-yloxyhex-5-yn-2-amine
CID 105148994
N-methyl-1-propan-2-yloxyundecan-2-amine
CID 105013250
N-methyl-1-propan-2-yloxyhept-6-yn-2-amine
CID 105179473
1-tert-butylsulfanyl-N-methylpent-4-en-2-amine
CID 65132724
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yloxypent-4-en-2-amine?
The IUPAC name of N-methyl-1-propan-2-yloxypent-4-en-2-amine (CID 116660601) is N-methyl-1-propan-2-yloxypent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-yloxypent-4-en-2-amine?
The canonical SMILES for N-methyl-1-propan-2-yloxypent-4-en-2-amine is C=CCC(COC(C)C)NC.
What is the InChIKey of N-methyl-1-propan-2-yloxypent-4-en-2-amine?
The InChIKey is YXKKKHVTDZOUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-9(10-4)7-11-8(2)3/h5,8-10H,1,6-7H2,2-4H3.
What are the key properties of N-methyl-1-propan-2-yloxypent-4-en-2-amine?
N-methyl-1-propan-2-yloxypent-4-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yloxypent-4-en-2-amine is sourced from PubChem (CID 116660601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).