1-amino-5-imino-6-methylheptan-4-ol

C8H18N2O — CID 89424592

IUPAC1-amino-5-imino-6-methylheptan-4-ol
SMILES[H]/N=C(\C(C)C)C(O)CCCN
InChIInChI=1S/C8H18N2O/c1-6(2)8(10)7(11)4-3-5-9/h6-7,10-11H,3-5,9H2,1-2H3/b10-8+
InChIKeyLZEZCPLCXKFQOX-CSKARUKUSA-N
MW158.25 g/mol
LogP0.76
Rot. Bonds5

About 1-amino-5-imino-6-methylheptan-4-ol

1-amino-5-imino-6-methylheptan-4-ol (PubChem CID 89424592) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-amino-5-imino-6-methylheptan-4-ol.

Molecular Properties

Compound Name1-amino-5-imino-6-methylheptan-4-ol
PubChem CID89424592
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-amino-5-imino-6-methylheptan-4-ol
SMILES[H]/N=C(\C(C)C)C(O)CCCN
InChIInChI=1S/C8H18N2O/c1-6(2)8(10)7(11)4-3-5-9/h6-7,10-11H,3-5,9H2,1-2H3/b10-8+
InChIKeyLZEZCPLCXKFQOX-CSKARUKUSA-N
XLogP0.76
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol
CID 88890970
4-imino-3,5-dimethylhexan-2-ol
CID 158629570
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
6-imino-3,3,7-trimethyloctane-1,5-diamine
CID 154999303
7-amino-4-hydroxy-2-methylheptan-3-one;1-amino-2-hydroxy-4-methylpentan-3-one;4-hydroxy-2-methylheptan-3-one;methane
CID 158878655
(E,5R)-8-amino-2-imino-5-methyloct-3-enal
CID 163633167
4,6-dimethyl-5-methylideneheptan-1-amine
CID 135230946
6-imino-7-methyloctane-2,3,4,5-tetrol
CID 134382365
7-amino-2,4-dimethylheptan-3-one
CID 116613359
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
4,7-dimethyloctan-1-amine
CID 123439711
CID 59116083
CID 59116083

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-imino-6-methylheptan-4-ol?
The IUPAC name of 1-amino-5-imino-6-methylheptan-4-ol (CID 89424592) is 1-amino-5-imino-6-methylheptan-4-ol.
What is the SMILES notation for 1-amino-5-imino-6-methylheptan-4-ol?
The canonical SMILES for 1-amino-5-imino-6-methylheptan-4-ol is [H]/N=C(\C(C)C)C(O)CCCN.
What is the InChIKey of 1-amino-5-imino-6-methylheptan-4-ol?
The InChIKey is LZEZCPLCXKFQOX-CSKARUKUSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)8(10)7(11)4-3-5-9/h6-7,10-11H,3-5,9H2,1-2H3/b10-8+.
What are the key properties of 1-amino-5-imino-6-methylheptan-4-ol?
1-amino-5-imino-6-methylheptan-4-ol has a molecular weight of 158.25 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-imino-6-methylheptan-4-ol is sourced from PubChem (CID 89424592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).