2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine

C19H37N — CID 137395019

IUPAC2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine
SMILESCC(C)C1CC(C(C)CCC(C)C2(N)CC2C(C)C)C1
InChIInChI=1S/C19H37N/c1-12(2)16-9-17(10-16)14(5)7-8-15(6)19(20)11-18(19)13(3)4/h12-18H,7-11,20H2,1-6H3
InChIKeyMZQNPIMCNBZIHU-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.09
Rot. Bonds7

About 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine

2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine (PubChem CID 137395019) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine
PubChem CID137395019
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine
SMILESCC(C)C1CC(C(C)CCC(C)C2(N)CC2C(C)C)C1
InChIInChI=1S/C19H37N/c1-12(2)16-9-17(10-16)14(5)7-8-15(6)19(20)11-18(19)13(3)4/h12-18H,7-11,20H2,1-6H3
InChIKeyMZQNPIMCNBZIHU-UHFFFAOYSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine?
The IUPAC name of 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine (CID 137395019) is 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine is CC(C)C1CC(C(C)CCC(C)C2(N)CC2C(C)C)C1.
What is the InChIKey of 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine?
The InChIKey is MZQNPIMCNBZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-12(2)16-9-17(10-16)14(5)7-8-15(6)19(20)11-18(19)13(3)4/h12-18H,7-11,20H2,1-6H3.
What are the key properties of 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine?
2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[5-(3-propan-2-ylcyclobutyl)hexan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 137395019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).