(6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine

C11H18N2 — CID 162136743

IUPAC(6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine
SMILESNC12CC3CC(C3C1)C1(N)CC1C2
InChIInChI=1S/C11H18N2/c12-10-2-6-1-9(8(6)5-10)11(13)4-7(11)3-10/h6-9H,1-5,12-13H2
InChIKeyZJJVHDSYZZCEPP-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.85
Rot. Bonds

About (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine

(6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine (PubChem CID 162136743) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine.

Molecular Properties

Compound Name(6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine
PubChem CID162136743
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine
SMILESNC12CC3CC(C3C1)C1(N)CC1C2
InChIInChI=1S/C11H18N2/c12-10-2-6-1-9(8(6)5-10)11(13)4-7(11)3-10/h6-9H,1-5,12-13H2
InChIKeyZJJVHDSYZZCEPP-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,8S)-tetracyclo[4.3.1.02,4.03,8]decan-6-amine
CID 57338028
3,3-difluorotricyclo[2.2.1.02,6]heptan-1-amine
CID 170915230
tricyclo[5.2.1.03,8]decan-1-amine
CID 123657337
5-aminoadamantane-2-thiol
CID 51038894
(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 98107604
8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 55251575
adamantan-1-amine;diiminoazanium
CID 175053883
(1R)-tetracyclo[4.2.0.01,7.03,5]octane
CID 148765284
heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine
CID 135013897
(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
CID 71472119
(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride
CID 71472116
4-(difluoromethyl)adamantan-1-amine
CID 58192793

Frequently Asked Questions

What is the IUPAC name of (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine?
The IUPAC name of (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine (CID 162136743) is (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine.
What is the SMILES notation for (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine?
The canonical SMILES for (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine is NC12CC3CC(C3C1)C1(N)CC1C2.
What is the InChIKey of (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine?
The InChIKey is ZJJVHDSYZZCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-10-2-6-1-9(8(6)5-10)11(13)4-7(11)3-10/h6-9H,1-5,12-13H2.
What are the key properties of (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine?
(6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine has a molecular weight of 178.28 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-tetracyclo[6.2.1.03,10.04,6]undecane-4,8-diamine is sourced from PubChem (CID 162136743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).