N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine

C9H17NO — CID 139971949

IUPACN-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine
SMILESC=C(C)OC=CCCCNC
InChIInChI=1S/C9H17NO/c1-9(2)11-8-6-4-5-7-10-3/h6,8,10H,1,4-5,7H2,2-3H3
InChIKeyAAWDKSIFJQGURI-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.05
Rot. Bonds6

About N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine

N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine (PubChem CID 139971949) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine
PubChem CID139971949
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine
SMILESC=C(C)OC=CCCCNC
InChIInChI=1S/C9H17NO/c1-9(2)11-8-6-4-5-7-10-3/h6,8,10H,1,4-5,7H2,2-3H3
InChIKeyAAWDKSIFJQGURI-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
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

N-methyl-3,4-dihydro-2H-pyran-2-amine
CID 53420680
N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine
CID 57096483
N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
CID 57163783
N-(2-methoxyethyl)pent-4-en-1-amine
CID 62602902
N-methyl-5-[5-(methylamino)pent-1-enoxy]pent-4-en-1-amine
CID 91183312
1-[(E)-pent-1-enoxy]-N-[1-[(E)-pent-1-enoxy]ethyl]ethanamine
CID 121299854
5-(Propylamino)pent-1-en-1-ol
CID 126497693
5-(Butylamino)pent-1-en-1-ol
CID 126497697
N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine
CID 139909461
N-ethyl-5-[5-(ethylamino)pent-1-enoxy]pent-4-en-1-amine
CID 139920183
N-ethyl-4-[4-(ethylamino)but-1-enoxy]but-3-en-1-amine
CID 141573593
(1E)-N-ethylhexa-1,5-dien-1-amine;4-[(E)-prop-1-enoxy]but-1-ene
CID 142024225

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine?
The IUPAC name of N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine (CID 139971949) is N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine.
What is the SMILES notation for N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine?
The canonical SMILES for N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine is C=C(C)OC=CCCCNC.
What is the InChIKey of N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine?
The InChIKey is AAWDKSIFJQGURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)11-8-6-4-5-7-10-3/h6,8,10H,1,4-5,7H2,2-3H3.
What are the key properties of N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine?
N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-prop-1-en-2-yloxypent-4-en-1-amine is sourced from PubChem (CID 139971949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).