N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine

C19H39N3 — CID 176629509

IUPACN-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
SMILESCC(C)NC1CCC(CN(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H39N3/c1-15(2)20-18-8-6-17(7-9-18)14-21(5)19-10-12-22(13-11-19)16(3)4/h15-20H,6-14H2,1-5H3
InChIKeySBRGFAALYGCOPT-UHFFFAOYSA-N
MW309.54 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine

N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine (PubChem CID 176629509) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
PubChem CID176629509
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC NameN-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
SMILESCC(C)NC1CCC(CN(C)C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H39N3/c1-15(2)20-18-8-6-17(7-9-18)14-21(5)19-10-12-22(13-11-19)16(3)4/h15-20H,6-14H2,1-5H3
InChIKeySBRGFAALYGCOPT-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine (CID 176629509) is N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine is CC(C)NC1CCC(CN(C)C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
The InChIKey is SBRGFAALYGCOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3/c1-15(2)20-18-8-6-17(7-9-18)14-21(5)19-10-12-22(13-11-19)16(3)4/h15-20H,6-14H2,1-5H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine?
N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine has a molecular weight of 309.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine is sourced from PubChem (CID 176629509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).