(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine

C18H37N3 — CID 143567809

IUPAC(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine
SMILESC=C([C@@H](CCC)N(CC)C(C)C)N(C)C1CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-8-10-18(21(9-2)15(3)4)16(5)20(7)17-11-13-19(6)14-12-17/h15,17-18H,5,8-14H2,1-4,6-7H3/t18-/m1/s1
InChIKeyYKWRCCOLJYVWIN-GOSISDBHSA-N
MW295.51 g/mol
LogP3.43
Rot. Bonds8

About (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine

(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine (PubChem CID 143567809) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine.

Molecular Properties

Compound Name(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine
PubChem CID143567809
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine
SMILESC=C([C@@H](CCC)N(CC)C(C)C)N(C)C1CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-8-10-18(21(9-2)15(3)4)16(5)20(7)17-11-13-19(6)14-12-17/h15,17-18H,5,8-14H2,1-4,6-7H3/t18-/m1/s1
InChIKeyYKWRCCOLJYVWIN-GOSISDBHSA-N
XLogP3.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-(6-Fluorohex-1-en-2-yl)-4-methylpiperazine
CID 129029259
N,N-dimethyl-2-(4-methylidenepiperidin-1-yl)prop-2-en-1-amine
CID 58970804
1-[(3R)-1-methyl-5-methylidenepyrrolidin-3-yl]piperidine
CID 89209704
1-Pent-1-en-2-yl-4-propan-2-ylpiperazine
CID 89670673
4-Hex-1-en-2-yl-1,2-dimethylpiperazine
CID 129028845
1-Hex-1-en-2-yl-4-methylpiperazine
CID 129028889
1-Hex-1-en-2-yl-2,4-dimethylpiperazine
CID 129028933
1,2-Dimethyl-4-pent-1-en-2-ylpiperazine
CID 129029243
2-Ethyl-4-hex-1-en-2-yl-1-methylpiperazine
CID 129029335
N,N-dimethyl-2,6-dimethylidenepiperidin-3-amine
CID 132135250
(2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine
CID 139406621
1-Ethenyl-4-hex-1-en-2-ylpiperazine
CID 142051569

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine?
The IUPAC name of (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine (CID 143567809) is (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine.
What is the SMILES notation for (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine?
The canonical SMILES for (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine is C=C([C@@H](CCC)N(CC)C(C)C)N(C)C1CCN(C)CC1.
What is the InChIKey of (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine?
The InChIKey is YKWRCCOLJYVWIN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H37N3/c1-8-10-18(21(9-2)15(3)4)16(5)20(7)17-11-13-19(6)14-12-17/h15,17-18H,5,8-14H2,1-4,6-7H3/t18-/m1/s1.
What are the key properties of (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine?
(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine has a molecular weight of 295.51 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine is sourced from PubChem (CID 143567809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).