N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine

C13H29N3 — CID 62438126

IUPACN-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-6-12(11-14-13(2,3)4)16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyWZNVTGJWYPXWDU-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds4

About N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine

N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine (PubChem CID 62438126) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
PubChem CID62438126
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-6-12(11-14-13(2,3)4)16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyWZNVTGJWYPXWDU-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
CID 62437742
N-tert-butyl-2-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 62433658
N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114490704
N-tert-butyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-amine
CID 63193003
N-tert-butyl-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114413531
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
CID 62556778
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
CID 83054955
1-hexan-3-yl-4-methyl-1,4-diazepane
CID 170392230
N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 83054505
1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
CID 118278399
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine (CID 62438126) is N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine is CCC(CNC(C)(C)C)N1CCN(C)CC1.
What is the InChIKey of N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine?
The InChIKey is WZNVTGJWYPXWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-12(11-14-13(2,3)4)16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine?
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62438126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).