N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine

C20H35N3O — CID 10131721

IUPACN,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine
SMILESCC(C)N1CCC(Oc2ccc(CN(C)CCN(C)C)cc2)CC1
InChIInChI=1S/C20H35N3O/c1-17(2)23-12-10-20(11-13-23)24-19-8-6-18(7-9-19)16-22(5)15-14-21(3)4/h6-9,17,20H,10-16H2,1-5H3
InChIKeyVCNKGHPYRPQUBF-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.93
Rot. Bonds8

About N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine (PubChem CID 10131721) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine
PubChem CID10131721
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine
SMILESCC(C)N1CCC(Oc2ccc(CN(C)CCN(C)C)cc2)CC1
InChIInChI=1S/C20H35N3O/c1-17(2)23-12-10-20(11-13-23)24-19-8-6-18(7-9-19)16-22(5)15-14-21(3)4/h6-9,17,20H,10-16H2,1-5H3
InChIKeyVCNKGHPYRPQUBF-UHFFFAOYSA-N
XLogP2.93
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine (CID 10131721) is N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine is CC(C)N1CCC(Oc2ccc(CN(C)CCN(C)C)cc2)CC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine?
The InChIKey is VCNKGHPYRPQUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-17(2)23-12-10-20(11-13-23)24-19-8-6-18(7-9-19)16-22(5)15-14-21(3)4/h6-9,17,20H,10-16H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine has a molecular weight of 333.52 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 10131721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).