2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol

C16H34N2O — CID 64828249

IUPAC2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol
SMILESCC(C)NC(CO)CCN1CCCC(C(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-13(2)15-6-5-9-18(10-7-15)11-8-16(12-19)17-14(3)4/h13-17,19H,5-12H2,1-4H3
InChIKeyVDHONFGESYCIHM-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds7

About 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol

2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol (PubChem CID 64828249) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol
PubChem CID64828249
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol
SMILESCC(C)NC(CO)CCN1CCCC(C(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-13(2)15-6-5-9-18(10-7-15)11-8-16(12-19)17-14(3)4/h13-17,19H,5-12H2,1-4H3
InChIKeyVDHONFGESYCIHM-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
CID 103504030
4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64796609
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64826874
4-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(propan-2-ylamino)butan-1-ol
CID 114083823
1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
CID 79328072
3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 106186760
4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64791800
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
2-(propan-2-ylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102746406
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
CID 64796209

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol (CID 64828249) is 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol is CC(C)NC(CO)CCN1CCCC(C(C)C)CC1.
What is the InChIKey of 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol?
The InChIKey is VDHONFGESYCIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)15-6-5-9-18(10-7-15)11-8-16(12-19)17-14(3)4/h13-17,19H,5-12H2,1-4H3.
What are the key properties of 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol?
2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol is sourced from PubChem (CID 64828249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).