N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine

C13H29N3 — CID 170184827

IUPACN-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C13H29N3/c1-11(2)14-6-7-15-8-9-16(12(3)4)10-13(15)5/h11-14H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyHYKJBFCYUNKMHG-CYBMUJFWSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds5

About N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine

N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine (PubChem CID 170184827) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
PubChem CID170184827
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C13H29N3/c1-11(2)14-6-7-15-8-9-16(12(3)4)10-13(15)5/h11-14H,6-10H2,1-5H3/t13-/m1/s1
InChIKeyHYKJBFCYUNKMHG-CYBMUJFWSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569172
1-[(2,2-difluorocyclopropyl)methyl]-2-methyl-4-propan-2-ylpiperazine
CID 170657576
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
3-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]butan-2-amine
CID 62573692
(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
CID 175636165
(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylhexan-1-amine
CID 79945340
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine
CID 115724992
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine (CID 170184827) is N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine is CC(C)NCCN1CCN(C(C)C)C[C@H]1C.
What is the InChIKey of N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine?
The InChIKey is HYKJBFCYUNKMHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)14-6-7-15-8-9-16(12(3)4)10-13(15)5/h11-14H,6-10H2,1-5H3/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine?
N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 170184827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).