3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine

C18H34N4 — CID 129237299

IUPAC3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)N1CC2(CCC(CC(C)N3CC4C(N)C4C3)NC2)C1
InChIInChI=1S/C18H34N4/c1-12(2)22-10-18(11-22)5-4-14(20-9-18)6-13(3)21-7-15-16(8-21)17(15)19/h12-17,20H,4-11,19H2,1-3H3
InChIKeyUNFBITWVSDDFPG-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.12
Rot. Bonds4

About 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine

3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 129237299) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID129237299
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)N1CC2(CCC(CC(C)N3CC4C(N)C4C3)NC2)C1
InChIInChI=1S/C18H34N4/c1-12(2)22-10-18(11-22)5-4-14(20-9-18)6-13(3)21-7-15-16(8-21)17(15)19/h12-17,20H,4-11,19H2,1-3H3
InChIKeyUNFBITWVSDDFPG-UHFFFAOYSA-N
XLogP1.12
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 129237299) is 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine is CC(C)N1CC2(CCC(CC(C)N3CC4C(N)C4C3)NC2)C1.
What is the InChIKey of 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is UNFBITWVSDDFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-12(2)22-10-18(11-22)5-4-14(20-9-18)6-13(3)21-7-15-16(8-21)17(15)19/h12-17,20H,4-11,19H2,1-3H3.
What are the key properties of 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 306.50 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-7-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 129237299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).