6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol

C10H22N2O — CID 90222280

IUPAC6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol
SMILES[H]/N=C(\C)C(C)CC(O)C(C)(C)NC
InChIInChI=1S/C10H22N2O/c1-7(8(2)11)6-9(13)10(3,4)12-5/h7,9,11-13H,6H2,1-5H3/b11-8+
InChIKeyILKHJFCMPWCERL-DHZHZOJOSA-N
MW186.30 g/mol
LogP1.41
Rot. Bonds5

About 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol

6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol (PubChem CID 90222280) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol.

Molecular Properties

Compound Name6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol
PubChem CID90222280
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol
SMILES[H]/N=C(\C)C(C)CC(O)C(C)(C)NC
InChIInChI=1S/C10H22N2O/c1-7(8(2)11)6-9(13)10(3,4)12-5/h7,9,11-13H,6H2,1-5H3/b11-8+
InChIKeyILKHJFCMPWCERL-DHZHZOJOSA-N
XLogP1.41
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.41
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

1-amino-3-methyl-3-(methylamino)butan-2-ol
CID 139754066
(3S)-3-methylhexan-2-imine
CID 149359557
(2S)-3-imino-N-methylbutan-2-amine
CID 147887389
3-methylbutan-2-imine
CID 20811318
3-methyl-5-phenoxyhexan-2-imine
CID 134275621
5-imino-4-methylhexanoic acid
CID 123554623
N-ethyl-2-iminopentan-3-amine
CID 174551929
2-[[2-[(2-ethanimidoyl-3-iminobutanoyl)amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 123935266
3-methyloct-7-ene-2,6-diimine
CID 167256727
3-cyclopropylbutan-2-imine
CID 163671590
3-ethylpentan-2-imine
CID 91583168
4-imino-3-(methylamino)pentan-2-one
CID 54015151

Frequently Asked Questions

What is the IUPAC name of 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol?
The IUPAC name of 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol (CID 90222280) is 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol.
What is the SMILES notation for 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol?
The canonical SMILES for 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol is [H]/N=C(\C)C(C)CC(O)C(C)(C)NC.
What is the InChIKey of 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol?
The InChIKey is ILKHJFCMPWCERL-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(8(2)11)6-9(13)10(3,4)12-5/h7,9,11-13H,6H2,1-5H3/b11-8+.
What are the key properties of 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol?
6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol has a molecular weight of 186.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2,5-dimethyl-2-(methylamino)heptan-3-ol is sourced from PubChem (CID 90222280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).