2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol

C14H30N2O — CID 64826444

IUPAC2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol
SMILESCC(N)(CO)CN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2,3)12-6-5-8-16(9-7-12)10-14(4,15)11-17/h12,17H,5-11,15H2,1-4H3
InChIKeyXEGPHOSYARAFQA-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol

2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol (PubChem CID 64826444) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol
PubChem CID64826444
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol
SMILESCC(N)(CO)CN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2,3)12-6-5-8-16(9-7-12)10-14(4,15)11-17/h12,17H,5-11,15H2,1-4H3
InChIKeyXEGPHOSYARAFQA-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64798655
2-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-1-ol
CID 64786452
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64787038
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol
CID 64786845
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 64826441
4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol
CID 64899056
2-amino-2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-ol
CID 64788004
4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
CID 66236936
4-[(4-tert-butylazepan-1-yl)methyl]cyclopent-2-en-1-amine
CID 79207094

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol (CID 64826444) is 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol is CC(N)(CO)CN1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol?
The InChIKey is XEGPHOSYARAFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2,3)12-6-5-8-16(9-7-12)10-14(4,15)11-17/h12,17H,5-11,15H2,1-4H3.
What are the key properties of 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol?
2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 64826444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).