N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine

C20H43N3 — CID 170586336

IUPACN,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)C(C)CCC(C)CCC1CCN(C(C)C)CC1
InChIInChI=1S/C20H43N3/c1-17(2)23-14-11-20(12-15-23)10-8-18(3)7-9-19(4)22(6)16-13-21-5/h17-21H,7-16H2,1-6H3
InChIKeyITRGTWXVFXWGNP-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.84
Rot. Bonds11

About N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine (PubChem CID 170586336) has the molecular formula C20H43N3 and a molecular weight of 325.59 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine
PubChem CID170586336
Molecular FormulaC20H43N3
Molecular Weight325.59 g/mol
Exact Mass325.35
IUPAC NameN,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine
SMILESCNCCN(C)C(C)CCC(C)CCC1CCN(C(C)C)CC1
InChIInChI=1S/C20H43N3/c1-17(2)23-14-11-20(12-15-23)10-8-18(3)7-9-19(4)22(6)16-13-21-5/h17-21H,7-16H2,1-6H3
InChIKeyITRGTWXVFXWGNP-UHFFFAOYSA-N
XLogP3.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine (CID 170586336) is N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine is CNCCN(C)C(C)CCC(C)CCC1CCN(C(C)C)CC1.
What is the InChIKey of N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine?
The InChIKey is ITRGTWXVFXWGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N3/c1-17(2)23-14-11-20(12-15-23)10-8-18(3)7-9-19(4)22(6)16-13-21-5/h17-21H,7-16H2,1-6H3.
What are the key properties of N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine has a molecular weight of 325.59 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 170586336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).