N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine

C10H25N3 — CID 143332504

IUPACN'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine
SMILESC=C(C)C(CC)CCNCN.CN
InChIInChI=1S/C9H20N2.CH5N/c1-4-9(8(2)3)5-6-11-7-10;1-2/h9,11H,2,4-7,10H2,1,3H3;2H2,1H3
InChIKeyMREBJXGKSKPKSV-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.06
Rot. Bonds6

About N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine

N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine (PubChem CID 143332504) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine.

Molecular Properties

Compound NameN'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine
PubChem CID143332504
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC NameN'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine
SMILESC=C(C)C(CC)CCNCN.CN
InChIInChI=1S/C9H20N2.CH5N/c1-4-9(8(2)3)5-6-11-7-10;1-2/h9,11H,2,4-7,10H2,1,3H3;2H2,1H3
InChIKeyMREBJXGKSKPKSV-UHFFFAOYSA-N
XLogP1.06
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine
CID 163821883
N,3,5-trimethylhex-5-en-1-amine
CID 81019816
4-Methyl-5-methylidenepiperidin-2-amine
CID 90984603
1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
CID 91082347
N,3-dimethyl-2-methylidenepentan-1-amine
CID 91552102
N',N'-dimethyl-N-(2-methyl-4-methylideneheptyl)methanediamine
CID 123198751
N,3,5-trimethyl-4-methylidenehexan-1-amine
CID 123843297
N,2,4-trimethylpent-4-en-1-amine
CID 126592102
1-N'-(4-methylidenehexyl)ethane-1,1-diamine
CID 129131799
1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine
CID 130280969
N'-(4-methylidenehexyl)methanediamine
CID 130462341
4-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 132001863

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine?
The IUPAC name of N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine (CID 143332504) is N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine.
What is the SMILES notation for N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine?
The canonical SMILES for N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine is C=C(C)C(CC)CCNCN.CN.
What is the InChIKey of N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine?
The InChIKey is MREBJXGKSKPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.CH5N/c1-4-9(8(2)3)5-6-11-7-10;1-2/h9,11H,2,4-7,10H2,1,3H3;2H2,1H3.
What are the key properties of N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine?
N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine has a molecular weight of 187.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-4-methylpent-4-enyl)methanediamine;methanamine is sourced from PubChem (CID 143332504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).