3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol

C14H31NO2 — CID 103377208

IUPAC3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol
SMILESCC(C)CC(CN)(CC(C)C)OC(C)C(C)O
InChIInChI=1S/C14H31NO2/c1-10(2)7-14(9-15,8-11(3)4)17-13(6)12(5)16/h10-13,16H,7-9,15H2,1-6H3
InChIKeyAORDEILFIBIBKU-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.56
Rot. Bonds8

About 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol

3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol (PubChem CID 103377208) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol
PubChem CID103377208
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol
SMILESCC(C)CC(CN)(CC(C)C)OC(C)C(C)O
InChIInChI=1S/C14H31NO2/c1-10(2)7-14(9-15,8-11(3)4)17-13(6)12(5)16/h10-13,16H,7-9,15H2,1-6H3
InChIKeyAORDEILFIBIBKU-UHFFFAOYSA-N
XLogP2.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)heptan-4-yloxy]butan-2-ol
CID 103377078
1-(1-amino-2-methylpropan-2-yl)oxyethanol
CID 87187146
2-(aminomethyl)-4-methyl-2-(2-propoxyethyl)pentan-1-ol
CID 106507904
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
CID 139681751
3-(1-amino-4-methoxy-4-methylpentan-2-yl)oxybutan-2-ol
CID 106676531
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
CID 126671106
diethyl 3,3-bis(2-methylpropyl)pentanedioate
CID 18618080

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol?
The IUPAC name of 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol (CID 103377208) is 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol.
What is the SMILES notation for 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol?
The canonical SMILES for 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol is CC(C)CC(CN)(CC(C)C)OC(C)C(C)O.
What is the InChIKey of 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol?
The InChIKey is AORDEILFIBIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-10(2)7-14(9-15,8-11(3)4)17-13(6)12(5)16/h10-13,16H,7-9,15H2,1-6H3.
What are the key properties of 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol?
3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol is sourced from PubChem (CID 103377208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).