N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine

C12H24N2O — CID 57133024

IUPACN-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine
SMILESC=C(CCCNC)OC(=C)CCCNC
InChIInChI=1S/C12H24N2O/c1-11(7-5-9-13-3)15-12(2)8-6-10-14-4/h13-14H,1-2,5-10H2,3-4H3
InChIKeyALRWDCGUNQEBEY-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.03
Rot. Bonds10

About N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine

N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine (PubChem CID 57133024) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine
PubChem CID57133024
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine
SMILESC=C(CCCNC)OC(=C)CCCNC
InChIInChI=1S/C12H24N2O/c1-11(7-5-9-13-3)15-12(2)8-6-10-14-4/h13-14H,1-2,5-10H2,3-4H3
InChIKeyALRWDCGUNQEBEY-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(5-Aminopent-1-en-2-yloxy)pent-4-en-1-amine
CID 21972075
N-methyl-3-[4-(methylamino)but-1-en-2-yloxy]but-3-en-1-amine
CID 56621818
N-ethyl-3-[4-(ethylamino)but-1-en-2-yloxy]but-3-en-1-amine
CID 57090165
4-[5-(dimethylamino)pent-1-en-2-yloxy]-N,N-dimethylpent-4-en-1-amine
CID 87745807
1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine
CID 89028588
4-methoxy-N,3-dimethylpent-4-en-1-amine
CID 123632659
N-ethyl-4-[5-(ethylamino)pent-1-en-2-yloxy]pent-4-en-1-amine
CID 141017867
N-methyl-4-[4-(methylamino)pent-1-en-2-yloxy]pent-4-en-2-amine
CID 141093033
4-methoxy-N-methylpent-4-en-1-amine
CID 155570140
N-methyl-4-prop-1-en-2-yloxybutan-1-amine
CID 156413575
CID 177320103
CID 177320103
N-ethyl-4-methoxypent-4-en-1-amine
CID 142218478

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
The IUPAC name of N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine (CID 57133024) is N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine.
What is the SMILES notation for N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
The canonical SMILES for N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine is C=C(CCCNC)OC(=C)CCCNC.
What is the InChIKey of N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
The InChIKey is ALRWDCGUNQEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(7-5-9-13-3)15-12(2)8-6-10-14-4/h13-14H,1-2,5-10H2,3-4H3.
What are the key properties of N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine?
N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(methylamino)pent-1-en-2-yloxy]pent-4-en-1-amine is sourced from PubChem (CID 57133024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).