2,4-diamino-6-methyl-1-phenylheptan-3-ol

C14H24N2O — CID 54007312

IUPAC2,4-diamino-6-methyl-1-phenylheptan-3-ol
SMILESCC(C)CC(N)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-10(2)8-12(15)14(17)13(16)9-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,15-16H2,1-2H3
InChIKeyKPUMFPMBRPSHSD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.29
Rot. Bonds6

About 2,4-diamino-6-methyl-1-phenylheptan-3-ol

2,4-diamino-6-methyl-1-phenylheptan-3-ol (PubChem CID 54007312) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,4-diamino-6-methyl-1-phenylheptan-3-ol.

Molecular Properties

Compound Name2,4-diamino-6-methyl-1-phenylheptan-3-ol
PubChem CID54007312
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,4-diamino-6-methyl-1-phenylheptan-3-ol
SMILESCC(C)CC(N)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-10(2)8-12(15)14(17)13(16)9-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,15-16H2,1-2H3
InChIKeyKPUMFPMBRPSHSD-UHFFFAOYSA-N
XLogP1.29
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-methyl-1-phenylheptan-3-ol?
The IUPAC name of 2,4-diamino-6-methyl-1-phenylheptan-3-ol (CID 54007312) is 2,4-diamino-6-methyl-1-phenylheptan-3-ol.
What is the SMILES notation for 2,4-diamino-6-methyl-1-phenylheptan-3-ol?
The canonical SMILES for 2,4-diamino-6-methyl-1-phenylheptan-3-ol is CC(C)CC(N)C(O)C(N)Cc1ccccc1.
What is the InChIKey of 2,4-diamino-6-methyl-1-phenylheptan-3-ol?
The InChIKey is KPUMFPMBRPSHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)8-12(15)14(17)13(16)9-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,15-16H2,1-2H3.
What are the key properties of 2,4-diamino-6-methyl-1-phenylheptan-3-ol?
2,4-diamino-6-methyl-1-phenylheptan-3-ol has a molecular weight of 236.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-methyl-1-phenylheptan-3-ol is sourced from PubChem (CID 54007312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).