3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol

C14H29NO2 — CID 114191778

IUPAC3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol
SMILESCC(C)C(O)(CN)CCCCC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-12(2)14(16,11-15)8-4-3-5-13-6-9-17-10-7-13/h12-13,16H,3-11,15H2,1-2H3
InChIKeyCJDABGXOHSHMLZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.32
Rot. Bonds7

About 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol

3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol (PubChem CID 114191778) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol
PubChem CID114191778
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol
SMILESCC(C)C(O)(CN)CCCCC1CCOCC1
InChIInChI=1S/C14H29NO2/c1-12(2)14(16,11-15)8-4-3-5-13-6-9-17-10-7-13/h12-13,16H,3-11,15H2,1-2H3
InChIKeyCJDABGXOHSHMLZ-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine
CID 114192558
1-(oxan-4-yl)undecan-5-ol
CID 114191725
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
CID 126978853
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
CID 105442753
2-[2-methylpropyl-[4-(oxan-4-yl)butyl]amino]acetic acid
CID 114191542
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
CID 114192573
4-[4-(oxan-4-yl)butylsulfonyl]butan-2-amine
CID 114192898
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
CID 115203437

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
The IUPAC name of 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol (CID 114191778) is 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
The canonical SMILES for 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol is CC(C)C(O)(CN)CCCCC1CCOCC1.
What is the InChIKey of 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
The InChIKey is CJDABGXOHSHMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)14(16,11-15)8-4-3-5-13-6-9-17-10-7-13/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol?
3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol has a molecular weight of 243.39 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-7-(oxan-4-yl)heptan-3-ol is sourced from PubChem (CID 114191778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).