ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine

C18H41N3 — CID 143614348

IUPACethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine
SMILESC=C([C@@H](CC)N(C)C)N(C)C1CCN(C)CC1.CC.CC
InChIInChI=1S/C14H29N3.2C2H6/c1-7-14(15(3)4)12(2)17(6)13-8-10-16(5)11-9-13;2*1-2/h13-14H,2,7-11H2,1,3-6H3;2*1-2H3/t14-;;/m1../s1
InChIKeyISKVYBPTWJDQTH-FMOMHUKBSA-N
MW299.55 g/mol
LogP3.92
Rot. Bonds5

About ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine

ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine (PubChem CID 143614348) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine.

Molecular Properties

Compound Nameethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine
PubChem CID143614348
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC Nameethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine
SMILESC=C([C@@H](CC)N(C)C)N(C)C1CCN(C)CC1.CC.CC
InChIInChI=1S/C14H29N3.2C2H6/c1-7-14(15(3)4)12(2)17(6)13-8-10-16(5)11-9-13;2*1-2/h13-14H,2,7-11H2,1,3-6H3;2*1-2H3/t14-;;/m1../s1
InChIKeyISKVYBPTWJDQTH-FMOMHUKBSA-N
XLogP3.92
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine?
The IUPAC name of ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine (CID 143614348) is ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine.
What is the SMILES notation for ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine?
The canonical SMILES for ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine is C=C([C@@H](CC)N(C)C)N(C)C1CCN(C)CC1.CC.CC.
What is the InChIKey of ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine?
The InChIKey is ISKVYBPTWJDQTH-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H29N3.2C2H6/c1-7-14(15(3)4)12(2)17(6)13-8-10-16(5)11-9-13;2*1-2/h13-14H,2,7-11H2,1,3-6H3;2*1-2H3/t14-;;/m1../s1.
What are the key properties of ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine?
ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine is sourced from PubChem (CID 143614348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).