azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine

C14H28F2N4 — CID 145230026

IUPACazane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine
SMILESCC(C)/C(N)=C/NC1CCN(C2CC(F)(F)C2)CC1.N
InChIInChI=1S/C14H25F2N3.H3N/c1-10(2)13(17)9-18-11-3-5-19(6-4-11)12-7-14(15,16)8-12;/h9-12,18H,3-8,17H2,1-2H3;1H3/b13-9-;
InChIKeyFDBKGZNDCFXIRL-CHHCPSLASA-N
MW290.40 g/mol
LogP2.46
Rot. Bonds4

About azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine

azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine (PubChem CID 145230026) has the molecular formula C14H28F2N4 and a molecular weight of 290.40 g/mol. Its IUPAC name is azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Nameazane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine
PubChem CID145230026
Molecular FormulaC14H28F2N4
Molecular Weight290.40 g/mol
Exact Mass290.23
IUPAC Nameazane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine
SMILESCC(C)/C(N)=C/NC1CCN(C2CC(F)(F)C2)CC1.N
InChIInChI=1S/C14H25F2N3.H3N/c1-10(2)13(17)9-18-11-3-5-19(6-4-11)12-7-14(15,16)8-12;/h9-12,18H,3-8,17H2,1-2H3;1H3/b13-9-;
InChIKeyFDBKGZNDCFXIRL-CHHCPSLASA-N
XLogP2.46
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
The IUPAC name of azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine (CID 145230026) is azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine.
What is the SMILES notation for azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
The canonical SMILES for azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine is CC(C)/C(N)=C/NC1CCN(C2CC(F)(F)C2)CC1.N.
What is the InChIKey of azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
The InChIKey is FDBKGZNDCFXIRL-CHHCPSLASA-N. The full InChI is InChI=1S/C14H25F2N3.H3N/c1-10(2)13(17)9-18-11-3-5-19(6-4-11)12-7-14(15,16)8-12;/h9-12,18H,3-8,17H2,1-2H3;1H3/b13-9-;.
What are the key properties of azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine?
azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine has a molecular weight of 290.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine is sourced from PubChem (CID 145230026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).