N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine

C17H35N3 — CID 62270799

IUPACN-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-20-10-8-19(9-11-20)12-15-6-7-15/h15,18H,6-14H2,1-5H3
InChIKeyKREFNXFFCSGUOS-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds6

About N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine

N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine (PubChem CID 62270799) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
PubChem CID62270799
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-20-10-8-19(9-11-20)12-15-6-7-15/h15,18H,6-14H2,1-5H3
InChIKeyKREFNXFFCSGUOS-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
CID 114800051
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79945391
N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79924588
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 63494708
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine (CID 62270799) is N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine is CC(C)(CNC(C)(C)C)CN1CCN(CC2CC2)CC1.
What is the InChIKey of N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is KREFNXFFCSGUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-20-10-8-19(9-11-20)12-15-6-7-15/h15,18H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62270799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).