N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine

C16H24N2 — CID 107126609

IUPACN'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc2c(c1)CCC(CNCCNC1CC1)C2
InChIInChI=1S/C16H24N2/c1-2-4-15-11-13(5-6-14(15)3-1)12-17-9-10-18-16-7-8-16/h1-4,13,16-18H,5-12H2
InChIKeyLLVRUKNKNYRTKB-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.13
Rot. Bonds6

About N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 107126609) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
PubChem CID107126609
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc2c(c1)CCC(CNCCNC1CC1)C2
InChIInChI=1S/C16H24N2/c1-2-4-15-11-13(5-6-14(15)3-1)12-17-9-10-18-16-7-8-16/h1-4,13,16-18H,5-12H2
InChIKeyLLVRUKNKNYRTKB-UHFFFAOYSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iadademstat
CID 71543365
Iadademstat dihydrochloride
CID 71664305
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10060088
3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine
CID 10399921
(9,10-Dihydro-anthracen-9-ylmethyl)-methyl-amine
CID 44313266
9,10-dihydroanthracene(DHA), 2b
CID 44521012
5-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
CID 10220008
(1-Allyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
CID 10398940
(3-Phenyl-propyl)-(6,7,8,9-tetrahydro-5H-benzocyclohepten-7-yl)-amine
CID 15061905
N-Methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15657209
N-methyl(2-(naphthalen-2-yl)cyclopropyl)methanamine
CID 44444532
trans-(1S,2R)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 60203904

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine (CID 107126609) is N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine is c1ccc2c(c1)CCC(CNCCNC1CC1)C2.
What is the InChIKey of N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is LLVRUKNKNYRTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-15-11-13(5-6-14(15)3-1)12-17-9-10-18-16-7-8-16/h1-4,13,16-18H,5-12H2.
What are the key properties of N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 107126609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).