N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine

C17H33N3 — CID 103780437

IUPACN'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
SMILESCCN(CCNC1CCN(CC=C(C)C)CC1)C1CC1
InChIInChI=1S/C17H33N3/c1-4-20(17-5-6-17)14-10-18-16-8-12-19(13-9-16)11-7-15(2)3/h7,16-18H,4-6,8-14H2,1-3H3
InChIKeyQHQPDZCRMCYVBQ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.49
Rot. Bonds8

About N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine (PubChem CID 103780437) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
PubChem CID103780437
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
SMILESCCN(CCNC1CCN(CC=C(C)C)CC1)C1CC1
InChIInChI=1S/C17H33N3/c1-4-20(17-5-6-17)14-10-18-16-8-12-19(13-9-16)11-7-15(2)3/h7,16-18H,4-6,8-14H2,1-3H3
InChIKeyQHQPDZCRMCYVBQ-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079
N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 106191040
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 115709099

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine (CID 103780437) is N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine is CCN(CCNC1CCN(CC=C(C)C)CC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is QHQPDZCRMCYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-20(17-5-6-17)14-10-18-16-8-12-19(13-9-16)11-7-15(2)3/h7,16-18H,4-6,8-14H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 279.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 103780437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).