N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine

C17H29N3 — CID 50981249

IUPACN-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine
SMILESCCC(C)N(Cc1ccnc(C(C)C)n1)C1CCCC1
InChIInChI=1S/C17H29N3/c1-5-14(4)20(16-8-6-7-9-16)12-15-10-11-18-17(19-15)13(2)3/h10-11,13-14,16H,5-9,12H2,1-4H3
InChIKeyINZGOMLPLBFFIU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.14
Rot. Bonds6

About N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine

N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine (PubChem CID 50981249) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine
PubChem CID50981249
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine
SMILESCCC(C)N(Cc1ccnc(C(C)C)n1)C1CCCC1
InChIInChI=1S/C17H29N3/c1-5-14(4)20(16-8-6-7-9-16)12-15-10-11-18-17(19-15)13(2)3/h10-11,13-14,16H,5-9,12H2,1-4H3
InChIKeyINZGOMLPLBFFIU-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine (CID 50981249) is N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine is CCC(C)N(Cc1ccnc(C(C)C)n1)C1CCCC1.
What is the InChIKey of N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine?
The InChIKey is INZGOMLPLBFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-14(4)20(16-8-6-7-9-16)12-15-10-11-18-17(19-15)13(2)3/h10-11,13-14,16H,5-9,12H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine?
N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine has a molecular weight of 275.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 50981249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).