1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine

C10H22N2 — CID 163857353

IUPAC1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine
SMILESC=C(CC(C)C(C)C)C(N)NC
InChIInChI=1S/C10H22N2/c1-7(2)8(3)6-9(4)10(11)12-5/h7-8,10,12H,4,6,11H2,1-3,5H3
InChIKeyOZLMHAMZWNSMFI-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.73
Rot. Bonds5

About 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine

1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine (PubChem CID 163857353) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine.

Molecular Properties

Compound Name1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine
PubChem CID163857353
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine
SMILESC=C(CC(C)C(C)C)C(N)NC
InChIInChI=1S/C10H22N2/c1-7(2)8(3)6-9(4)10(11)12-5/h7-8,10,12H,4,6,11H2,1-3,5H3
InChIKeyOZLMHAMZWNSMFI-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
CID 137469562
1-fluoro-N'-(1-fluoro-3-methyl-2-prop-1-en-2-ylpentyl)methanediamine
CID 163821883
N,2,3-trimethyl-5-methylideneheptan-1-amine
CID 81016533
N,3,5-trimethylhex-5-en-1-amine
CID 81019816
5-[2-(Methylaminomethyl)prop-2-enyl]nonane-1,9-diamine
CID 90886795
1-N'-(5-methyl-4-prop-2-enylhept-6-enyl)ethane-1,1-diamine
CID 91082347
N,4-dimethyl-2-methylidenepentan-1-amine
CID 91250259
N,3-dimethyl-2-methylidenepentan-1-amine
CID 91552102
2-ethylidene-N,3,4-trimethylhexan-1-amine
CID 123680580
N,3,5-trimethyl-4-methylidenehexan-1-amine
CID 123843297
N,4-dimethyl-2-methylidenenonan-1-amine
CID 129134973
N,4,5,6-tetramethylhept-6-en-1-amine
CID 129141764

Frequently Asked Questions

What is the IUPAC name of 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine?
The IUPAC name of 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine (CID 163857353) is 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine.
What is the SMILES notation for 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine?
The canonical SMILES for 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine is C=C(CC(C)C(C)C)C(N)NC.
What is the InChIKey of 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine?
The InChIKey is OZLMHAMZWNSMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-7(2)8(3)6-9(4)10(11)12-5/h7-8,10,12H,4,6,11H2,1-3,5H3.
What are the key properties of 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine?
1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4,5-trimethyl-2-methylidenehexane-1,1-diamine is sourced from PubChem (CID 163857353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).