4-(4-tert-butylpiperazin-1-yl)pentan-1-amine

C13H29N3 — CID 62463192

IUPAC4-(4-tert-butylpiperazin-1-yl)pentan-1-amine
SMILESCC(CCCN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(6-5-7-14)15-8-10-16(11-9-15)13(2,3)4/h12H,5-11,14H2,1-4H3
InChIKeyUQFXQUCSPNURPG-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds4

About 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine

4-(4-tert-butylpiperazin-1-yl)pentan-1-amine (PubChem CID 62463192) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)pentan-1-amine
PubChem CID62463192
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-(4-tert-butylpiperazin-1-yl)pentan-1-amine
SMILESCC(CCCN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(6-5-7-14)15-8-10-16(11-9-15)13(2,3)4/h12H,5-11,14H2,1-4H3
InChIKeyUQFXQUCSPNURPG-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62463195
4-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 62411940
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
4-(4,4-dimethylpiperidin-1-yl)pentan-1-amine
CID 62932025
4-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 55072549
5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine
CID 167254513
N-[2-(4-tert-butylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62463018
4-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-amine
CID 62428370
1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine
CID 135279303
N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 55072104
4-(2,2-dimethylmorpholin-4-yl)pentan-1-amine
CID 62433132
methyl 2-amino-4-(4-tert-butylpiperazin-1-yl)-2-methylpentanoate
CID 64709909

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine (CID 62463192) is 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine is CC(CCCN)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine?
The InChIKey is UQFXQUCSPNURPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(6-5-7-14)15-8-10-16(11-9-15)13(2,3)4/h12H,5-11,14H2,1-4H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine?
4-(4-tert-butylpiperazin-1-yl)pentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 62463192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).