3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine

C14H29N3 — CID 87310107

IUPAC3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine
SMILES[H]/N=C(\CC(C)C)C(C)NC(C)/C(CC(C)C)=N/[H]
InChIInChI=1S/C14H29N3/c1-9(2)7-13(15)11(5)17-12(6)14(16)8-10(3)4/h9-12,15-17H,7-8H2,1-6H3/b15-13+,16-14+
InChIKeyIVJFPCGRMJHAHF-WXUKJITCSA-N
MW239.41 g/mol
LogP3.48
Rot. Bonds8

About 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine

3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine (PubChem CID 87310107) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine.

Molecular Properties

Compound Name3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine
PubChem CID87310107
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine
SMILES[H]/N=C(\CC(C)C)C(C)NC(C)/C(CC(C)C)=N/[H]
InChIInChI=1S/C14H29N3/c1-9(2)7-13(15)11(5)17-12(6)14(16)8-10(3)4/h9-12,15-17H,7-8H2,1-6H3/b15-13+,16-14+
InChIKeyIVJFPCGRMJHAHF-WXUKJITCSA-N
XLogP3.48
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine?
The IUPAC name of 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine (CID 87310107) is 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine.
What is the SMILES notation for 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine?
The canonical SMILES for 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine is [H]/N=C(\CC(C)C)C(C)NC(C)/C(CC(C)C)=N/[H].
What is the InChIKey of 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine?
The InChIKey is IVJFPCGRMJHAHF-WXUKJITCSA-N. The full InChI is InChI=1S/C14H29N3/c1-9(2)7-13(15)11(5)17-12(6)14(16)8-10(3)4/h9-12,15-17H,7-8H2,1-6H3/b15-13+,16-14+.
What are the key properties of 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine?
3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine has a molecular weight of 239.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-(3-imino-5-methylhexan-2-yl)-5-methylhexan-2-amine is sourced from PubChem (CID 87310107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).