2-(aminomethyl)-2-propan-2-ylpentan-1-ol

C9H21NO — CID 106507597

IUPAC2-(aminomethyl)-2-propan-2-ylpentan-1-ol
SMILESCCCC(CN)(CO)C(C)C
InChIInChI=1S/C9H21NO/c1-4-5-9(6-10,7-11)8(2)3/h8,11H,4-7,10H2,1-3H3
InChIKeySWERSKOMHNGZLL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds5

About 2-(aminomethyl)-2-propan-2-ylpentan-1-ol

2-(aminomethyl)-2-propan-2-ylpentan-1-ol (PubChem CID 106507597) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(aminomethyl)-2-propan-2-ylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-propan-2-ylpentan-1-ol
PubChem CID106507597
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(aminomethyl)-2-propan-2-ylpentan-1-ol
SMILESCCCC(CN)(CO)C(C)C
InChIInChI=1S/C9H21NO/c1-4-5-9(6-10,7-11)8(2)3/h8,11H,4-7,10H2,1-3H3
InChIKeySWERSKOMHNGZLL-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Aminomethyl)-3,3-dimethylcyclobutyl]methanol
CID 54016362
1-[1-(Aminomethyl)cyclopropyl]-2-methylpropan-1-ol
CID 71758169
2-(Aminomethyl)-3-methylpentan-1-ol
CID 79423352
1-Amino-3,4-dimethyl-hexan-2-ol
CID 44272310
3-Amino-1-cyclobutyl-2,2-dimethylpropan-1-OL
CID 80487110
2-Aminomethyl-2-butylhexane-1-ol
CID 11658412
2-Aminomethyl-2-propylpentane-1-ol
CID 23120774
2-Aminomethyl-2-pentylheptan-1-ol
CID 102474350
3-(Aminomethyl)-3,5,5-trimethylhexan-1-ol
CID 19608967
2-(Aminomethyl)-2-ethylpentan-1-ol
CID 20461811
2-(Aminomethyl)-2-ethylhexan-1-ol
CID 20461812
4-Amino-2-(1-methylcyclopropyl)butan-1-ol
CID 21039911

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-propan-2-ylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-propan-2-ylpentan-1-ol (CID 106507597) is 2-(aminomethyl)-2-propan-2-ylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-propan-2-ylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-propan-2-ylpentan-1-ol is CCCC(CN)(CO)C(C)C.
What is the InChIKey of 2-(aminomethyl)-2-propan-2-ylpentan-1-ol?
The InChIKey is SWERSKOMHNGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-9(6-10,7-11)8(2)3/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-propan-2-ylpentan-1-ol?
2-(aminomethyl)-2-propan-2-ylpentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-propan-2-ylpentan-1-ol is sourced from PubChem (CID 106507597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).