4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine

C17H37N3 — CID 114539613

IUPAC4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
SMILESCCCNC(CCN1CC(C)N(C)C(C)C1)C(C)(C)C
InChIInChI=1S/C17H37N3/c1-8-10-18-16(17(4,5)6)9-11-20-12-14(2)19(7)15(3)13-20/h14-16,18H,8-13H2,1-7H3
InChIKeyFUDGODYREFFEJE-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds6

About 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine

4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine (PubChem CID 114539613) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
PubChem CID114539613
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
SMILESCCCNC(CCN1CC(C)N(C)C(C)C1)C(C)(C)C
InChIInChI=1S/C17H37N3/c1-8-10-18-16(17(4,5)6)9-11-20-12-14(2)19(7)15(3)13-20/h14-16,18H,8-13H2,1-7H3
InChIKeyFUDGODYREFFEJE-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
CID 114800100
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 63024440
N-ethyl-4,4-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-amine
CID 66371772
1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 104692007
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62623903
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62622978
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103502662
3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114592822

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine (CID 114539613) is 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine is CCCNC(CCN1CC(C)N(C)C(C)C1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine?
The InChIKey is FUDGODYREFFEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-8-10-18-16(17(4,5)6)9-11-20-12-14(2)19(7)15(3)13-20/h14-16,18H,8-13H2,1-7H3.
What are the key properties of 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine?
4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine is sourced from PubChem (CID 114539613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).